SCHEMBL17514260

SCHEMBL17514260

COc1ccc(C2CCCN2C(=O)c2cnc3[nH]nc(C)c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 7/20 0.58
▸ CDK8 P49336 7/20 0.58
▸ DRD2 P14416 1/20 0.58
▸ GSK3A P49840 1/20 0.58
▸ CDK9 P50750 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ ROCK2 O75116 5/20 0.54
▸ HSD17B10 Q99714 1/20 0.49
▸ SCD5 Q86SK9 6/20 0.47
▸ SCD O00767 3/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46

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
SCHEMBL19349667 1.00 CCNC (0.58) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL17514258 1.00 CCNC (0.58) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL17514219 0.90 CCNC (0.61) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349581 0.90 CCNC (0.61) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL17514174 0.90 CCNC (0.61) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349732 0.90 ROCK2 (0.56) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349704 0.90 ROCK2 (0.56) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349702 0.90 ROCK2 (0.56) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349589 0.89 CCNC (0.58) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349590 0.89 CCNC (0.58) CCNCCDK8DRD2GSK3ACDK9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3183239-B1 INDAZOLES MERCK PATENT GMBH (DE) 2018-09-26 — — EP claimed
US-9862717-B2 Indazoles MERCK PATENT GMBH (DE) 2018-01-09 — — US claimed
US-20170267675-A1 INDAZOLES MERCK PATENT GMBH (DE) 2017-09-21 — — US claimed
EP-3183239-A1 INDAZOLES Merck Patent GmbH (DE) 2017-06-28 — — EP claimed
WO-2016026549-A1 INDAZOLES MERCK PATENT GMBH (DE) 2016-02-25 — — WO claimed
EP-3183239-B1 INDAZOLES MERCK PATENT GMBH (DE) 2018-09-26 — — EP disclosed
US-9862717-B2 Indazoles MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
US-20170267675-A1 INDAZOLES MERCK PATENT GMBH (DE) 2017-09-21 — — 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-20170267675-A1 INDAZOLES MKI67, CCNI, BRCA1 CCNC 94/4885CDK8 242/4885DRD2 4481/4885

“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.

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