SCHEMBL9610727

SCHEMBL9610727

Cc1ccc(C(=O)Nc2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1-c1cnc2ccccn12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 18/20 0.76
▸ BCR P11274 5/20 0.60
▸ LYN P07948 2/20 0.56
▸ CSK P41240 2/20 0.56
▸ MAPK14 Q16539 2/20 0.56
▸ ABL2 P42684 2/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ RET P07949 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ ARAF P10398 1/20 0.56
▸ BRAF P15056 1/20 0.56
▸ NQO2 P16083 1/20 0.56
▸ EPHA2 P29317 1/20 0.56
▸ EPHB2 P29323 1/20 0.56
▸ FRK P42685 1/20 0.56
▸ MAPKAPK2 P49137 1/20 0.56
▸ IRAK1 P51617 1/20 0.56
▸ EPHB3 P54753 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
SCHEMBL9611043 1.00 ABL1 (0.76) ABL1BCRLYNCSKMAPK14
SCHEMBL9611137 0.96 ABL1 (0.70) ABL1BCRABL2BRAF
SCHEMBL9610980 0.92 ABL1 (0.65) ABL1BCRLYNCSKMAPK14
SCHEMBL10264771 0.92 ABL1 (0.64) ABL1BCRLYNCSKMAPK14
SCHEMBL9610992 0.91 ABL1 (0.64) ABL1BCRLYNCSKMAPK14
SCHEMBL15499610 0.89 ABL1 (0.67) ABL1BCRABL2BRAF
SCHEMBL9610749 0.88 ABL1 (0.64) ABL1BCRLYNCSKMAPK14
SCHEMBL9610939 0.88 ABL1 (0.76) ABL1BCRLYNCSKMAPK14
SCHEMBL10265087 0.88 ABL1 (0.75) ABL1BCRABL2
SCHEMBL9610978 0.87 ABL1 (0.75) ABL1BCRABL2BRAF

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 ABL1 110/4885BCR 250/4885LYN 2275/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BCR 250/4885LYN 2275/4885

“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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