SCHEMBL16610271

SCHEMBL16610271

CN1CCC(c2cn(-c3nc(N)ncc3F)c3cc(C#CC(C)(C)O)ncc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 11/20 0.63
CHUK O15111 3/20 0.41
MAP3K14 Q99558 3/20 0.36
TYK2 P29597 1/20 0.35
DRD2 P14416 2/20 0.34
HTR1B P28222 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL16610214 0.92 TTBK1 (0.60) TTBK1CHUKMAP3K14
SCHEMBL20306070 0.90 TTBK1 (0.57) TTBK1CHUKMAP3K14
SCHEMBL18080751 0.84 TTBK1 (0.51) TTBK1CHUKMAP3K14
SCHEMBL16610268 0.83 TTBK1 (0.90) TTBK1CHUKMAP3K14
SCHEMBL21880207 0.83 TTBK1 (0.50) TTBK1MAP3K14DRD2
SCHEMBL16610212 0.83 TTBK1 (0.49) TTBK1MAP3K14
SCHEMBL16610201 0.83 TTBK1 (0.49) TTBK1MAP3K14
SCHEMBL21096566 0.83 TTBK1 (0.59) TTBK1CHUKMAP3K14TYK2
SCHEMBL16610224 0.82 TTBK1 (0.39) TTBK1TYK2DRD2HTR1BHTR6
SCHEMBL16610345 0.79 TTBK1 (0.52) TTBK1MAP3K14

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 578/4885CHUK 24/4885MAP3K14 1/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 TTBK1 558/4885CHUK 25/4885MAP3K14 1/4885

“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.