SCHEMBL687283

SCHEMBL687283

FC(F)(F)c1ccc2ncn[c]c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PARP1 P09874 1/20 0.35
NPBWR1 P48145 2/20 0.35
EGFR P00533 4/20 0.35
GAK O14976 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CBFB Q13951 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL857956 0.86 BACE1 (0.39) BACE1KDM4EEPHX2SCN4ANOS3
SCHEMBL856169 0.76 MAP4K4 (0.39) BACE1KDM4EPARP1HTT
SCHEMBL858657 0.72 HTT (0.41) BACE1KDM4EHTT
SCHEMBL856946 0.72 CYP1A2 (0.39) BACE1KDM4EPARP1HTT
SCHEMBL2472075 0.71 DYRK1A (0.39) BACE1KDM4EEPHX2SCN4ANOS3
SCHEMBL15670712 0.69 BACE1 (0.43) BACE1KDM4EEPHX2SCN4ANOS3
SCHEMBL5027281 0.68 MAP4K4 (0.54) EGFR
SCHEMBL686726 0.68 KDM4E (0.46) KDM4EEGFRGAKIRAK4ABCG2
SCHEMBL29728013 0.68 MAP4K4 (0.54) EGFR
SCHEMBL856888 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192495-A1 FGF21 COMBINED WITH CCR2/5 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-14 EP disclosed
US-8906920-B2 N-((1R,2S,5R)-5-(tert-butylamino)-2-((S)-3-(7-tert-butylpyrazolo[1,5-A][1,3,5]triazin-4-ylamino)-2-oxopyrrolidin-1-yl)cyclohexyl)acetamide, a dual modulator of chemokine receptor activity, crystalline forms and processes BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
CN-101535301-B Modulators of chemokine receptor activity, crystalline forms and methods BRISTOL MYERS SQUIBB CO 2014-06-18 CN disclosed
US-20140088109-A1 N-((1R,2S,5R)-5-(TERT-BUTYLAMINO)-2-((S)-3-(7-TERT-BUTYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-YLAMINO)-2-OXOPYRROLIDIN-1-YL)CYCLOHEXYL)ACETAMIDE, A DUAL MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 US disclosed
US-8618101-B2 N-((1R,2S,5R)-5-(tert-butylamino)-2-((S)-3-(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-ylamino)-2-oxopyrrolidin-1-yl)cyclohexyl)acetamide, a dual modulator of chemokine receptor activity, crystalline forms and processes BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-2664620-A2 N-((1R,2S,5R)-5-(tert-butylamino)-2-((S)-3-(7-tert-butylpyrazolo[1,5-A][1,3,5]triazin-4-ylamino)-2-oxopyrrolidin-1-yl)cyclohexyl)acetamide, a dual modulator of chemokine receptor activity, crystalline form and processes Bristol-Myers Squibb Company (US) 2013-11-20 EP disclosed
US-20130158039-A1 N-((1R,2S,5R)-5-(TERT-BUTYLAMINO)-2-((S)-3-(7-TERT-BUTYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-YLAMINO)-2-OXOPYRROLIDIN-1-YL)CYCLOHEXYL)ACETAMIDE, A DUAL MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESSES BRISTOL-MYERS SQUIBB COMPANY 2013-06-20 US disclosed
US-8383812-B2 N-((1R,2S,5R)-5-(tert-butylamino)-2-((S)-3-(7-tert-butylpyrazolo[1,5-A][1,3,5]triazin-4-ylamino)-2-oxopyrrolidin-1-yl)cyclohexyl)acetamide, a dual modulator of chemokine receptor activity, crystalline forms and processes BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2488523-A1 N-((1R,2S,5R)-5-(TERT-BUTYLAMINO)-2-((S)-3-(7-TERT-BUTYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-YLAMINO)-2-OXOPYRROLIDIN-1-YL)CYCLOHEXYL)ACETAMIDE, A DUAL MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESSES Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
EP-1667966-B1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
CN-101535301-A Modulators of chemokine receptor activity, crystalline forms and methods BRISTOL MYERS SQUIBB CO (US) 2009-09-16 CN disclosed
CN-101511822-A Chemokine receptor activity modulators and crystalline forms and processes for making the same BRISTOL MYERS SQUIBB CO (US) 2009-08-19 CN disclosed
EP-2049477-A2 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
EP-2046779-A2 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS Bristol-Myers Squibb Company (US) 2009-04-15 EP disclosed
WO-2008014381-A2 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
US-20080027083-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
US-20080027084-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
WO-2008014360-A2 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
US-7317019-B2 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO. (US) 2008-01-08 US disclosed
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140088109-A1 N-((1R,2S,5R)-5-(TERT-BUTYLAMINO)-2-((S)-3-(7-TERT-BUTYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-YLAMINO)-2-OXOPYRROLIDIN-1-YL)CYCLOHEXYL)ACETAMIDE, A DUAL MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESSES CCR1, CCR2, CCR5 BACE1 3979/4885KDM4E 4353/4885EPHX2 688/4885
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 BACE1 3430/4885KDM4E 4703/4885EPHX2 2028/4885
US-20080027084-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS ACKR3, CCR1, CXCR1 BACE1 3625/4885KDM4E 3991/4885EPHX2 1801/4885
US-20130158039-A1 N-((1R,2S,5R)-5-(TERT-BUTYLAMINO)-2-((S)-3-(7-TERT-BUTYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-YLAMINO)-2-OXOPYRROLIDIN-1-YL)CYCLOHEXYL)ACETAMIDE, A DUAL MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESSES CCR1, CCR2, CCR5 BACE1 3979/4885KDM4E 4353/4885EPHX2 688/4885
US-20080027083-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS ACKR3, CCR1, CCR2 BACE1 4066/4885KDM4E 3734/4885EPHX2 1943/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.