SCHEMBL9611053

SCHEMBL9611053

CN1CCN(Cc2ccc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3)cc2Cl)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.69
▸ NTRK3 Q16288 6/20 0.69
▸ NTRK1 P04629 5/20 0.69
▸ NTRK2 Q16620 5/20 0.69
▸ ABL2 P42684 2/20 0.57
▸ MAPK14 Q16539 2/20 0.57
▸ DDR1 Q08345 6/20 0.57
▸ DDR2 Q16832 5/20 0.57
▸ RET P07949 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ KIT P10721 1/20 0.52
▸ BCR P11274 1/20 0.52
▸ STK10 O94804 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ EPHA2 P29317 1/20 0.52
▸ EPHA8 P29322 1/20 0.52
▸ EPHB2 P29323 1/20 0.52
▸ TEK Q02763 1/20 0.52
▸ EPHA7 Q15375 1/20 0.52

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
SCHEMBL15144984 0.92 ABL1 (0.70) ABL1NTRK3NTRK1NTRK2ABL2
SCHEMBL15499530 0.92 ABL1 (0.70) ABL1NTRK3NTRK1NTRK2ABL2
SCHEMBL10207524 0.90 ABL1 (0.79) ABL1NTRK3NTRK1NTRK2DDR1
SCHEMBL10207568 0.89 ABL1 (0.79) ABL1NTRK3NTRK1NTRK2ABL2
SCHEMBL15061738 0.85 ABL1 (0.77) ABL1NTRK3NTRK1NTRK2ABL2
SCHEMBL10265846 0.85 ABL1 (0.68) ABL1NTRK3NTRK1NTRK2DDR1
SCHEMBL15061730 0.82 ABL1 (0.68) ABL1NTRK3NTRK1NTRK2ABL2
SCHEMBL31474781 0.81 ABL1 (0.78) ABL1NTRK3NTRK1NTRK2ABL2
SCHEMBL21843620 0.81 ABL1 (0.78) ABL1NTRK3NTRK1NTRK2ABL2
SCHEMBL10207525 0.81 ABL1 (0.65) ABL1NTRK3NTRK1NTRK2ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (4 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-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885NTRK3 1546/4885NTRK1 1475/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885NTRK3 2458/4885NTRK1 3992/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885NTRK3 2458/4885NTRK1 3992/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885NTRK3 2458/4885NTRK1 3992/4885

“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.

Send feedback