SCHEMBL9610746

SCHEMBL9610746

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1C#Cc1cnc2c(NC(N)=O)cccn12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.50
BRAF P15056 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
FLT3 P36888 3/20 0.42
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL589268 0.86 ABL1 (0.56) ABL1
SCHEMBL24403508 0.84 ABL1 (0.45) ABL1BRAFSMN1; SMN2
SCHEMBL10265226 0.84 BRAF (0.46) BRAFSMN1; SMN2FLT3
SCHEMBL20922210 0.83 ABL1 (0.45) ABL1BRAFKIT
SCHEMBL20922059 0.82 BRAF (0.44) ABL1BRAF
SCHEMBL9610972 0.82 ABL1 (0.60) ABL1KDRKIT
SCHEMBL20912688 0.82 ABL1 (0.43) ABL1BRAFKIT
SCHEMBL20912748 0.81 ABL1 (0.41) ABL1BRAF
SCHEMBL9609674 0.80 ABL1 (0.51) ABL1KIT
SCHEMBL15510671 0.79 ABL1 (0.50) ABL1BRAFSMN1; SMN2FLT3KIT

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 2649/4885BRAF 2710/4885SMN1; SMN2 19/4885
US-20130196979-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BRAF 2396/4885SMN1; SMN2 3086/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885BRAF 58/4885SMN1; SMN2 4760/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885BRAF 1/4885SMN1; SMN2 1426/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BRAF 2396/4885SMN1; SMN2 3086/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA ABL1 4036/4885BRAF 2579/4885SMN1; SMN2 9/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BRAF 2396/4885SMN1; SMN2 3086/4885
US-20140288082-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BRAF 2396/4885SMN1; SMN2 3086/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BRAF 2396/4885SMN1; SMN2 3086/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BRAF 2396/4885SMN1; SMN2 3086/4885

“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.