SCHEMBL9611032

SCHEMBL9611032

CC(C)N1CCN(Cc2ccc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 18/20 0.62
▸ ABL2 P42684 5/20 0.59
▸ MAPK14 Q16539 3/20 0.59
▸ FGFR1 P11362 1/20 0.50
▸ NTRK1 P04629 2/20 0.49
▸ NTRK3 Q16288 2/20 0.49
▸ NTRK2 Q16620 2/20 0.49

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
SCHEMBL15145010 0.92 ABL1 (0.73) ABL1ABL2MAPK14
SCHEMBL15061730 0.87 ABL1 (0.68) ABL1ABL2MAPK14FGFR1NTRK1
SCHEMBL15473011 0.86 ABL1 (0.53) ABL1ABL2MAPK14FGFR1
SCHEMBL15061726 0.85 ABL1 (0.67) ABL1ABL2MAPK14FGFR1NTRK1
SCHEMBL15061755 0.84 ABL1 (0.86) ABL1ABL2MAPK14FGFR1NTRK1
SCHEMBL9611028 0.80 ABL1 (0.58) ABL1ABL2MAPK14
SCHEMBL10207568 0.80 ABL1 (0.79) ABL1ABL2MAPK14FGFR1NTRK1
SCHEMBL9611109 0.78 ABL1 (0.57) ABL1ABL2MAPK14
SCHEMBL21843620 0.77 ABL1 (0.78) ABL1ABL2MAPK14FGFR1NTRK1
SCHEMBL31474781 0.77 ABL1 (0.78) ABL1ABL2MAPK14FGFR1NTRK1

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 10 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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — 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

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

For each of this compound's patents that has machine-readable text (7 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 2955/4885MAPK14 3170/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ABL1 122/4885ABL2 328/4885MAPK14 35/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885ABL2 231/4885MAPK14 199/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885MAPK14 4516/4885
US-20140288082-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885MAPK14 4516/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885MAPK14 4516/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ABL2 1006/4885MAPK14 4516/4885

“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.

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