SCHEMBL1440085

SCHEMBL1440085

COc1ccc(F)cc1-c1cc(N)ncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.43
CCNT1 O60563 6/20 0.42
CDK9 P50750 5/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
FYN P06241 4/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
DYRK1A Q13627 1/20 0.40
ABL1 P00519 1/20 0.40
CTSA P10619 2/20 0.39

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
SCHEMBL30507417 0.89 CDK9 (0.45) CCNT1CDK9ALOX5APFEN1FYN
SCHEMBL23520406 0.89 CDK9 (0.45) CCNT1CDK9ALOX5APFEN1FYN
SCHEMBL1439355 0.85 CCNT1 (0.44) LRRK2CCNT1CDK9FYNJAK2
SCHEMBL9929437 0.85 CCNT1 (0.49) CCNT1CDK9ALOX5APFEN1JAK2
SCHEMBL9929605 0.84 HTR1A (0.50) ALOX5APFEN1DYRK1A
SCHEMBL9929632 0.80 CSF1R (0.43) LRRK2CCNT1CDK9CTSA
SCHEMBL31069507 0.77 GPBAR1 (0.48) CCNT1CDK9
SCHEMBL27856566 0.76 FYN (0.51) CDK9ALOX5APFEN1FYNDYRK1A
SCHEMBL8940603 0.76 ERN1 (0.51) LRRK2CCNT1CDK9JAK2JAK3
SCHEMBL8789110 0.74 CCNT1 (0.54) CCNT1CDK9

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 7 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
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US 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
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 LRRK2 525/4885CCNT1 80/4885CDK9 6/4885

“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.