SCHEMBL16610213

SCHEMBL16610213

CC(C)(O)CCc1cn(-c2nc(N)ncc2F)c2cc(C#CC3(O)CCCC3)ncc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 5/20 0.39
CHUK O15111 3/20 0.36
TTBK1 Q5TCY1 4/20 0.35
FLT4 P35916 2/20 0.32
ADORA2A P29274 4/20 0.31
ADORA2B P29275 4/20 0.31
ADORA1 P30542 4/20 0.31
PAK4 O96013 1/20 0.31
ADORA3 P0DMS8 2/20 0.31

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
SCHEMBL16610297 0.88 MAP3K14 (0.41) MAP3K14CHUKTTBK1FLT4ADORA2A
SCHEMBL16610205 0.86 TTBK1 (0.46) MAP3K14CHUKTTBK1
SCHEMBL16610195 0.85 TTBK1 (0.52) MAP3K14CHUKTTBK1PAK4
SCHEMBL16610228 0.79 TTBK1 (0.36) TTBK1
SCHEMBL16610318 0.76 TTBK1 (0.45) MAP3K14CHUKTTBK1
SCHEMBL16610306 0.75 MAP3K14 (0.58) MAP3K14CHUKTTBK1ADORA2AADORA2B
SCHEMBL16610217 0.74 TTBK1 (0.44) MAP3K14CHUKTTBK1
SCHEMBL16610210 0.71 TTBK1 (0.46) MAP3K14CHUKTTBK1PAK4
SCHEMBL1613437 0.70 PAK4 (0.38) MAP3K14TTBK1PAK4
SCHEMBL16610218 0.69 TTBK1 (0.67) MAP3K14TTBK1PAK4

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 MAP3K14 1/4885CHUK 24/4885TTBK1 578/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 MAP3K14 1/4885CHUK 25/4885TTBK1 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.