Sugi Predict

Sugi Predict / Compounds / SCHEMBL9610799

SCHEMBL9610799

SCHEMBL9610799

CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(C#Cc4cnc5ccccn45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 19/20 0.87
▸ ABL2 P42684 4/20 0.73
▸ FGFR1 P11362 2/20 0.69
▸ KDR P35968 2/20 0.69
▸ DDR1 Q08345 2/20 0.68
▸ MAPK14 Q16539 2/20 0.68
▸ DDR2 Q16832 2/20 0.68
▸ GAK O14976 1/20 0.68
▸ MLNR O43193 1/20 0.68
▸ RIPK2 O43353 1/20 0.68
▸ JAK2 O60674 1/20 0.68
▸ NR1I2 O75469 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ MAP4K4 O95819 1/20 0.68
▸ EGFR P00533 1/20 0.68
▸ NR3C1 P04150 1/20 0.68
▸ ERBB2 P04626 1/20 0.68
▸ NTRK1 P04629 1/20 0.68
▸ LCK P06239 1/20 0.68
▸ FYN P06241 1/20 0.68

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
SCHEMBL15061759 0.93 ABL1 (0.87) ABL1ABL2FGFR1KDRDDR1
SCHEMBL588627 0.93 ABL1 (1.00) ABL1ABL2FGFR1KDRDDR1
SCHEMBL29493478 0.93 ABL1 (1.00) ABL1ABL2FGFR1KDRDDR1
SCHEMBL10207551 0.92 ABL1 (0.86) ABL1ABL2FGFR1KDRDDR1
SCHEMBL10207548 0.91 ABL1 (0.87) ABL1ABL2FGFR1KDRDDR1
SCHEMBL10207569 0.90 ABL1 (1.00) ABL1ABL2FGFR1KDRDDR1
SCHEMBL9610993 0.90 ABL1 (1.00) ABL1ABL2FGFR1KDRDDR1
SCHEMBL16644579 0.90 ABL1 (0.71) ABL1ABL2FGFR1KDRDDR1
SCHEMBL14306277 0.89 FGFR1 (0.69) ABL1FGFR1KDRCSF1RKIT
SCHEMBL10207561 0.89 ABL1 (0.80) ABL1ABL2FGFR1KDRNTRK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 — — US disclosed
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2019-01-31 — — US disclosed
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 — — US disclosed
US-9029533-B2 Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 — — US disclosed
US-20140288082-A1 Bicyclic Heteroaryl Compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2014-09-25 — — US disclosed
US-8778942-B2 Substituted acetylenic imidazo[1,2-A]pyrazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 — — US disclosed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-20130196979-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-08-01 — — US disclosed
US-8470851-B2 Substituted acetylenic imidazo[1,2-A]pyridine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-06-25 — — US disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 — — US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 — — 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 (10 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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT ABL1 2649/4885ABL2 2955/4885FGFR1 2789/4885
US-20130196979-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885FGFR1 1762/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885ABL2 328/4885FGFR1 568/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885ABL2 231/4885FGFR1 546/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885FGFR1 1762/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA ABL1 4036/4885ABL2 3737/4885FGFR1 3561/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885FGFR1 1762/4885
US-20140288082-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885FGFR1 1762/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885FGFR1 1762/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885FGFR1 1762/4885

“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.