SCHEMBL1439640

SCHEMBL1439640

COc1ccc(F)cc1-c1cc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)ncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CDK2 P24941 1/20 0.55
CCNT1 O60563 7/20 0.54
ABL1 P00519 2/20 0.51
NTRK1 P04629 1/20 0.47
MAPK8 P45983 3/20 0.44
MAPK10 P53779 3/20 0.44
MAPK14 Q16539 3/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1439644 1.00 CDK9 (0.55) CDK9CDK1CDK4CDK2CCNT1
SCHEMBL12501692 0.87 CDK9 (0.51) CDK9CDK1CDK4CDK2CCNT1
SCHEMBL12501693 0.87 CDK9 (0.51) CDK9CDK1CDK4CDK2CCNT1
SCHEMBL1439848 0.82 USP30 (0.50) CDK9CCNT1ABL1MAPK8MAPK10
SCHEMBL1439849 0.82 USP30 (0.50) CDK9CCNT1ABL1MAPK8MAPK10
SCHEMBL1944749 0.82 CCNT1 (0.54) CDK9CDK4CDK2CCNT1ABL1
SCHEMBL1944753 0.82 CCNT1 (0.54) CDK9CDK4CDK2CCNT1ABL1
SCHEMBL12827050 0.80 CDK9 (0.46) CDK9ABL1NTRK1MAPK8MAPK10
SCHEMBL16042236 0.79 CDK9 (0.46) CDK9ABL1NTRK1MAPK8MAPK10
SCHEMBL16042238 0.79 CDK9 (0.46) CDK9ABL1NTRK1MAPK8MAPK10

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
EP-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 EP disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO 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 (1 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 CDK9 6/4885CDK1 2/4885CDK4 14/4885

“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.