SCHEMBL19349732

SCHEMBL19349732

COc1cccc([C@@H]2CCCN2C(=O)c2cnc3[nH]nc(C)c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.56
▸ DRD2 P14416 1/20 0.51
▸ CCNC P24863 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ SCD5 Q86SK9 2/20 0.46
▸ SCD O00767 1/20 0.45
▸ GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL19349702 1.00 ROCK2 (0.56) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL19349704 1.00 ROCK2 (0.56) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL19349667 0.90 CCNC (0.58) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL17514258 0.90 CCNC (0.58) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL17514260 0.90 CCNC (0.58) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL17514180 0.88 CCNC (0.59) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL19349773 0.88 CCNC (0.59) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL17514178 0.88 CCNC (0.59) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL17514210 0.87 CCNC (0.59) ROCK2DRD2CCNCCDK8GSK3A
SCHEMBL17514191 0.87 CCNC (0.59) ROCK2DRD2CCNCCDK8GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20170267675-A1 INDAZOLES MERCK PATENT GMBH (DE) 2017-09-21 — — 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 ROCK2 965/4885DRD2 4481/4885CCNC 94/4885

“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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