SCHEMBL9929435

SCHEMBL9929435

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.52
CDK9 P50750 1/20 0.52
MAP2 P11137 2/20 0.42
ABL1 P00519 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
GRM2 Q14416 2/20 0.41
P2RX3 P56373 1/20 0.39
KMO O15229 1/20 0.38
CTSA P10619 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ACLY P53396 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
RORC P51449 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
SCHEMBL9929632 0.87 CSF1R (0.43) CCNT1CDK9GRM2CTSA
SCHEMBL9929437 0.82 CCNT1 (0.49) CCNT1CDK9ABL1KCNQ3KCNQ2
SCHEMBL9929604 0.73 PLG (0.48) MAP2GRM2
SCHEMBL9929900 0.71 HPGDS (0.50) CDK9GRM2KMOIRAK4
SCHEMBL27710623 0.70 IRAK4 (0.57) MAP2ABL1IRAK4MKNK1MKNK2
SCHEMBL28816647 0.70 IRAK4 (0.65) MAP2IRAK4MKNK1MKNK2
SCHEMBL1439366 0.69 CDK9 (1.00) CCNT1CDK9ABL1
SCHEMBL13082656 0.68 ABL1 (0.54) CCNT1CDK9ABL1KCNQ3KCNQ2
Hydrazine SCHEMBL27484593 0.68 CSNK2A1 (0.57) MAP2P2RX3KMOACLYRORC
SCHEMBL23047437 0.67 TRPC6 (0.55) P2RX3IRAK4MKNK1MKNK2

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 6/4885MAP2 460/4885

“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.