SCHEMBL9929437

SCHEMBL9929437

CC(C)Oc1ccc(F)cc1-c1cc(N)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.49
CDK9 P50750 2/20 0.49
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
JAK2 O60674 9/20 0.40
MAP4K4 O95819 1/20 0.39
ABL1 P00519 2/20 0.39
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CSNK2A1 P68400 2/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ACLY P53396 1/20 0.36

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
SCHEMBL1440085 0.85 LRRK2 (0.43) CCNT1CDK9ALOX5APFEN1JAK2
SCHEMBL9929435 0.82 CCNT1 (0.52) CCNT1CDK9ABL1KCNQ3KCNQ2
SCHEMBL23520406 0.77 CDK9 (0.45) CCNT1CDK9ALOX5APFEN1
SCHEMBL30507417 0.77 CDK9 (0.45) CCNT1CDK9ALOX5APFEN1
SCHEMBL23520275 0.76 ALOX5AP (0.50) CCNT1CDK9ALOX5APFEN1JAK2
SCHEMBL21223516 0.74 MCHR1 (0.46) CCNT1CDK9ALOX5APFEN1JAK2
Hydrazine SCHEMBL27484593 0.72 CSNK2A1 (0.57) CSNK2A1ACLY
SCHEMBL10939237 0.71 CSNK2A1 (0.56) CSNK2A1ACLY
SCHEMBL1439355 0.71 CCNT1 (0.44) CCNT1CDK9JAK2JAK3
SCHEMBL25345535 0.70 ALOX5AP (0.42) ALOX5APFEN1JAK2MAP4K4ABL1

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 claimed
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

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 CCNT1 80/4885CDK9 6/4885ALOX5AP 3415/4885

“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.