SCHEMBL16610210

SCHEMBL16610210

N#CCCc1cn(-c2ccnc(N)n2)c2cc(C#CC3(O)CCCC3)ncc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 8/20 0.46
MAP3K14 Q99558 6/20 0.45
CDC7 O00311 3/20 0.41
PAK4 O96013 1/20 0.39
PAK1 Q13153 1/20 0.39
PAK2 Q13177 1/20 0.39
PKN1 Q16512 1/20 0.39
PAK6 Q9NQU5 1/20 0.39
PAK5 Q9P286 1/20 0.39
TTBK2 Q6IQ55 2/20 0.39
ROCK1 Q13464 1/20 0.37
CHUK O15111 3/20 0.35

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
SCHEMBL16610195 0.87 TTBK1 (0.52) TTBK1MAP3K14CDC7PAK4PAK1
SCHEMBL16610209 0.82 TTBK1 (0.65) TTBK1MAP3K14CDC7PAK4TTBK2
SCHEMBL16610256 0.78 CDC7 (0.42) TTBK1MAP3K14CDC7ROCK1
SCHEMBL16610265 0.77 TTBK1 (0.64) TTBK1MAP3K14CDC7PAK4PAK1
SCHEMBL16610251 0.77 TTBK1 (0.63) TTBK1MAP3K14CDC7TTBK2ROCK1
SCHEMBL16610319 0.73 TTBK1 (0.66) TTBK1MAP3K14CDC7TTBK2ROCK1
SCHEMBL16610297 0.73 MAP3K14 (0.41) TTBK1MAP3K14PAK4CHUK
SCHEMBL24153373 0.73 PAK4 (0.51) TTBK1MAP3K14CDC7PAK4PAK1
SCHEMBL16610300 0.73 TTBK1 (0.67) TTBK1MAP3K14CDC7PAK4TTBK2
SCHEMBL16610302 0.71 TTBK1 (0.68) TTBK1MAP3K14CDC7PAK4TTBK2

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 TTBK1 578/4885MAP3K14 1/4885CDC7 620/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 TTBK1 558/4885MAP3K14 1/4885CDC7 548/4885

“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.