SCHEMBL16610433

SCHEMBL16610433

CNC(=O)c1cn(-c2ccnc(N)n2)c2cc(Br)ncc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.42
CDC7 O00311 3/20 0.41
TTBK1 Q5TCY1 1/20 0.41
CDK2 P24941 2/20 0.40
MAP3K14 Q99558 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
SCHEMBL16610355 0.87 CDC7 (0.47) ROCK1CDC7TTBK1CDK2MAP3K14
SCHEMBL16610298 0.81 TTBK1 (0.66) ROCK1CDC7TTBK1MAP3K14
SCHEMBL16610442 0.79 MAP3K14 (0.46) ROCK1CDC7TTBK1CDK2MAP3K14
SCHEMBL16610229 0.75 ROCK1 (0.45) ROCK1CDC7TTBK1CDK2MAP3K14
SCHEMBL16610446 0.74 CDC7 (0.42) ROCK1CDC7TTBK1CDK2MAP3K14
SCHEMBL16610230 0.74 ROCK1 (0.47) ROCK1CDC7TTBK1CDK2MAP3K14
SCHEMBL16610444 0.74 CDC7 (0.48) ROCK1CDC7TTBK1CDK2MAP3K14
SCHEMBL16610435 0.74 ROCK1 (0.44) ROCK1CDC7TTBK1CDK2MAP3K14
SCHEMBL24152590 0.73 CDC7 (0.51) ROCK1CDC7CDK2MAP3K14
SCHEMBL16610226 0.73 ROCK1 (0.43) ROCK1CDC7TTBK1CDK2MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071566-B1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-15 EP disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 US disclosed
WO-2015044267-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 WO 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 (2 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-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 ROCK1 816/4885CDC7 620/4885TTBK1 578/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 ROCK1 837/4885CDC7 548/4885TTBK1 558/4885

“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.