SCHEMBL9611007

SCHEMBL9611007

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C(C)C)CC3)c(C(F)(F)F)c2)cc1-c1cnc2cnccn12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.64
▸ ABL2 P42684 1/20 0.59
▸ MAPK14 Q16539 1/20 0.59
▸ DDR1 Q08345 5/20 0.59
▸ BRAF P15056 5/20 0.56
▸ EGFR P00533 4/20 0.56
▸ BCR P11274 4/20 0.55
▸ DDR2 Q16832 3/20 0.55
▸ RET P07949 1/20 0.54
▸ KIT P10721 3/20 0.54

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
SCHEMBL9611057 0.92 ABL1 (0.67) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL9611036 0.92 ABL1 (0.75) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL10265418 0.92 ABL1 (0.66) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL10265301 0.91 ABL1 (0.76) ABL1ABL2BRAFEGFRBCR
SCHEMBL10268800 0.90 ABL1 (0.64) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL15871944 0.90 ABL1 (0.64) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL9610971 0.89 ABL1 (0.62) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL9611028 0.88 ABL1 (0.58) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL9611109 0.87 ABL1 (0.57) ABL1ABL2MAPK14DDR1BRAF
SCHEMBL15061755 0.86 ABL1 (0.86) ABL1ABL2MAPK14DDR1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778942-B2 Substituted acetylenic imidazo[1,2-A]pyrazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-07-15 — — 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 (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 110/4885ABL2 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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