SCHEMBL588662

SCHEMBL588662

Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 1.00
NTRK1 P04629 1/20 0.59
DDR1 Q08345 1/20 0.59
NTRK3 Q16288 1/20 0.59
NTRK2 Q16620 1/20 0.59
DDR2 Q16832 1/20 0.59

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
SCHEMBL15510693 0.93 ABL1 (0.87) ABL1NTRK1DDR1NTRK3NTRK2
SCHEMBL589428 0.93 ABL1 (0.86) ABL1NTRK1DDR1NTRK3NTRK2
Hydrochloric Acid SCHEMBL31734730 0.92 ABL1 (0.85) ABL1NTRK1DDR1NTRK3NTRK2
SCHEMBL29493473 0.90 ABL1 (0.81) ABL1
SCHEMBL588964 0.90 ABL1 (0.81) ABL1
SCHEMBL9610977 0.89 ABL1 (1.00) ABL1
SCHEMBL30010196 0.89 ABL1 (1.00) ABL1
SCHEMBL15061695 0.88 ABL1 (0.88) ABL1NTRK1DDR1NTRK3NTRK2
SCHEMBL9610965 0.88 ABL1 (1.00) ABL1NTRK1DDR1NTRK3NTRK2
SCHEMBL10207582 0.87 ABL1 (0.77) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 US claimed
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 US claimed
EP-2694066-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE ARIAD Pharmaceuticals, Inc (US) 2014-02-12 EP claimed
EP-2694064-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES Ariad Pharmaceuticals, Incorporated (US) 2014-02-12 EP claimed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 US claimed
WO-2013101281-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE ARIAD PHARMACEUTICALS, INC. (US) 2013-07-04 WO claimed
US-8470851-B2 Substituted acetylenic imidazo[1,2-A]pyridine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-06-25 US claimed
EP-1973545-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2013-01-30 EP claimed
WO-2012139027-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2012-10-11 WO claimed
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 US disclosed
US-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2022-03-17 US disclosed
EP-3747441-A1 BICYCLIC HETEROARYL COMPOUNDS ARIAD Pharmaceuticals, Inc. (US) 2020-12-09 EP disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 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-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
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 (8 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-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885NTRK1 775/4885DDR1 1119/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885NTRK1 1475/4885DDR1 2431/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885NTRK1 3992/4885DDR1 4853/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA ABL1 4036/4885NTRK1 3038/4885DDR1 4786/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885NTRK1 3992/4885DDR1 4853/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885NTRK1 3992/4885DDR1 4853/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885NTRK1 3992/4885DDR1 4853/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885NTRK1 775/4885DDR1 1119/4885

“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.