SCHEMBL16610446

SCHEMBL16610446

CC(CO)c1cn(-c2ccnc(N)n2)c2cc(Br)ncc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.42
CDK2 P24941 11/20 0.42
TTBK1 Q5TCY1 3/20 0.41
ROCK1 Q13464 3/20 0.40
MAP3K14 Q99558 2/20 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
SCHEMBL16610274 0.83 CDC7 (0.37) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL20307372 0.82 CDC7 (0.36) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL16610293 0.81 TTBK1 (0.66) CDC7TTBK1MAP3K14
SCHEMBL16610229 0.79 ROCK1 (0.45) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL16610442 0.79 MAP3K14 (0.46) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL16610226 0.77 ROCK1 (0.43) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL16610435 0.76 ROCK1 (0.44) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL16610355 0.76 CDC7 (0.47) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL16610227 0.75 TTBK1 (0.52) CDC7CDK2TTBK1ROCK1MAP3K14
SCHEMBL16610433 0.74 ROCK1 (0.42) CDC7CDK2TTBK1ROCK1MAP3K14

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-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-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
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 CDC7 620/4885CDK2 784/4885TTBK1 578/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 CDC7 548/4885CDK2 673/4885TTBK1 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.