SCHEMBL9929632

SCHEMBL9929632

COc1ccc(F)cc1-c1cc(C(N)=O)ncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.43
SLC9A1 P19634 2/20 0.43
GRM2 Q14416 2/20 0.43
CDK9 P50750 6/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
CTSA P10619 3/20 0.42
CCNT1 O60563 5/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ERN1 O75460 1/20 0.41
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL9929435 0.87 CCNT1 (0.52) GRM2CDK9CTSACCNT1
SCHEMBL9929604 0.86 PLG (0.48) CSF1RGRM2HTR2AHTR2C
SCHEMBL1440085 0.80 LRRK2 (0.43) CDK9CTSACCNT1LRRK2
SCHEMBL1439355 0.80 CCNT1 (0.44) CDK9CTSACCNT1ERN1LRRK2
SCHEMBL9929900 0.74 HPGDS (0.50) GRM2CDK9CDK1CDK2
SCHEMBL30292714 0.72 GPBAR1 (0.49) SLC9A1CDK9CCNT1
SCHEMBL31069507 0.72 GPBAR1 (0.48) CDK9CCNT1
SCHEMBL8940603 0.71 ERN1 (0.51) SLC9A1CDK9CCNT1ERN1LRRK2
SCHEMBL4973657 0.70 CYP1A2 (0.54) SLC9A1CTSA
SCHEMBL29706670 0.70 LMNA (0.52) SLC9A1CDK9CCNT1HTR2AHTR2C

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 CSF1R 2747/4885SLC9A1 4076/4885GRM2 2283/4885

“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.