SCHEMBL686726

SCHEMBL686726

Oc1ncnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
EGFR P00533 8/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
GAK O14976 1/20 0.46
RIPK2 O43353 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.41
ERBB2 P04626 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39

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
SCHEMBL8809376 0.86 PARP1 (0.49) KDM4EEGFRIRAK4GAKKDR
SCHEMBL29728013 0.79 MAP4K4 (0.54) EGFR
SCHEMBL5027281 0.79 MAP4K4 (0.54) EGFR
SCHEMBL13043830 0.79 EGFR (0.49) EGFRIRAK4GAKRIPK2KDR
SCHEMBL686704 0.79 PDE4A (0.48) EGFRIRAK4GAKABCG2TSHR
SCHEMBL13078320 0.78 EGFR (0.46) EGFRIRAK4GAKRIPK2KDR
SCHEMBL13043952 0.76 EGFR (0.47) EGFRIRAK4GAKRIPK2KDR
SCHEMBL3737053 0.76 HTT (0.49) KDM4EEGFRABCG2HTTCCNC
SCHEMBL4421437 0.75 RIPK2 (0.53) KDM4EEGFRIRAK4GAKRIPK2
SCHEMBL1192531 0.75 PARP1 (0.47) KDM4EEGFRABCG2HTTERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118900838-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-11-05 CN disclosed
EP-3134091-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-03-01 EP disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 WO disclosed
CN-101535301-B Modulators of chemokine receptor activity, crystalline forms and methods BRISTOL MYERS SQUIBB CO 2014-06-18 CN disclosed
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 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
US-8049019-B2 Substituted pyrrolidine-2-one compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-8049019-B2 Substituted pyrrolidine-2-one compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-8049019-B2 Substituted pyrrolidine-2-one compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 US disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
WO-2005021498-A1 LACTAMS OF ALKYLATED ACYCLIC DIAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
WO-2005021499-A1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050043392-A1 Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO 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 (6 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-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KDM4E 4716/4885EGFR 1758/4885IRAK4 254/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KDM4E 4661/4885EGFR 2375/4885IRAK4 1077/4885
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KDM4E 4703/4885EGFR 2698/4885IRAK4 634/4885
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 KDM4E 521/4885EGFR 4455/4885IRAK4 4/4885
US-20050043392-A1 Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KDM4E 3783/4885EGFR 2105/4885IRAK4 349/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KDM4E 4675/4885EGFR 1789/4885IRAK4 287/4885

“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.