SCHEMBL9611068

SCHEMBL9611068

Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-c1cnc2cnccn12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 14/20 0.67
DDR1 Q08345 13/20 0.67
ABL1 P00519 10/20 0.67
BCR P11274 4/20 0.67
KIT P10721 4/20 0.67
NTRK3 Q16288 6/20 0.66
NTRK1 P04629 5/20 0.66
NTRK2 Q16620 5/20 0.66
STK10 O94804 1/20 0.58
LCK P06239 1/20 0.58
EPHA2 P29317 1/20 0.58
EPHA8 P29322 1/20 0.58
EPHB2 P29323 1/20 0.58
TEK Q02763 1/20 0.58
EPHA7 Q15375 1/20 0.58
BRAF P15056 1/20 0.56

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
SCHEMBL10268791 0.94 DDR1 (0.76) DDR2DDR1ABL1BCRKIT
SCHEMBL9611001 0.93 DDR2 (0.65) DDR2DDR1ABL1BCRKIT
SCHEMBL9611024 0.89 DDR1 (0.63) DDR2DDR1ABL1BCRKIT
SCHEMBL10265617 0.87 ABL1 (0.65) DDR2DDR1ABL1BCRKIT
SCHEMBL10207580 0.85 ABL1 (0.89) DDR2DDR1ABL1KITNTRK3
SCHEMBL10265418 0.85 ABL1 (0.66) DDR2DDR1ABL1BCRKIT
SCHEMBL10265586 0.84 ABL1 (0.75) DDR2DDR1ABL1BCRKIT
SCHEMBL9611165 0.84 ABL1 (0.64) DDR2DDR1ABL1BCRKIT
SCHEMBL10266184 0.83 ABL1 (0.57) DDR2DDR1ABL1BCRKIT
SCHEMBL9610957 0.81 DDR1 (0.65) DDR2DDR1ABL1BCRKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 DDR2 4239/4885DDR1 4853/4885ABL1 110/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 DDR2 4239/4885DDR1 4853/4885ABL1 110/4885

“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.