SCHEMBL16610253

SCHEMBL16610253

CN(C)Cc1c[nH]c2cc(Br)ncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EGFR P00533 2/20 0.44
HTR6 P50406 4/20 0.39
HTR2A P28223 5/20 0.38
HTR2C P28335 5/20 0.38
HTR2B P41595 5/20 0.38
SLC6A4 P31645 2/20 0.38
CYP1A2 P05177 1/20 0.37
HTR1A P08908 4/20 0.35
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
HTR3E A5X5Y0 2/20 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
SCHEMBL16610430 0.82 CSNK2A1 (0.36) ALDH1A1CYP3A4HTR6HTR2AHTR1A
SCHEMBL16610353 0.78 MTNR1A (0.35) MEN1KMT2AHTR6HTR2AHTR2C
SCHEMBL18080754 0.78 CSNK2A1 (0.33) HTR6CSNK2A1
SCHEMBL20476417 0.77 HTR1A (0.42) CYP2D6KDM4EMEN1CYP3A4CYP2C19
SCHEMBL27517077 0.77 CSNK2A1 (0.56) CYP2D6KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL31609637 0.76 HTR2C (0.47) CYP2D6ALDH1A1HTR6HTR2AHTR2C
SCHEMBL18080755 0.76 HTR2C (0.47) CYP2D6ALDH1A1HTR6HTR2AHTR2C
SCHEMBL18080758 0.76 MTNR1B (0.39) CYP2D6MEN1TSHRKMT2AHTR6
SCHEMBL16610215 0.75 CSNK2A1 (0.62) SLC6A4MPOCSNK2A1
SCHEMBL6031494 0.74 KDM4E (0.60) CYP2D6KDM4EMEN1ALDH1A1CYP3A4

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 5 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
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 CYP2D6 4072/4885KDM4E 1250/4885MEN1 1866/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 CYP2D6 4216/4885KDM4E 1312/4885MEN1 1769/4885

“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.