SCHEMBL19349706

SCHEMBL19349706

Cc1n[nH]c2ncc(C(=O)N3CCCC3c3cccnc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.53
▸ CDK8 P49336 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ PRMT5 O14744 1/20 0.47
▸ WDR77 Q9BQA1 1/20 0.47
▸ GPBAR1 Q8TDU6 4/20 0.47
▸ NUDT1 P36639 1/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL19349767 1.00 CCNC (0.53) CCNCCDK8KDM4EALDH1A1DRD2
SCHEMBL19349705 1.00 CCNC (0.53) CCNCCDK8KDM4EALDH1A1DRD2
SCHEMBL17514178 0.90 CCNC (0.59) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349773 0.90 CCNC (0.59) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL17514180 0.90 CCNC (0.59) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349756 0.89 CCNC (0.58) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349590 0.89 CCNC (0.58) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349589 0.89 CCNC (0.58) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL19349640 0.87 CCNC (0.55) CCNCCDK8KDM4EALDH1A1DRD2
SCHEMBL17514255 0.87 CCNC (0.55) CCNCCDK8KDM4EALDH1A1DRD2

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 CCNC 94/4885CDK8 242/4885KDM4E 2176/4885

“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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