SCHEMBL16610353

SCHEMBL16610353

COCc1c[nH]c2cc(Br)ncc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
HTR2A P28223 2/20 0.33
CSNK2A1 P68400 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
RET P07949 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2B P41595 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL18080758 0.85 MTNR1B (0.39) MTNR1AMTNR1BHTR2ACHRNB2CHRNA7
SCHEMBL16610221 0.82 MTNR1B (0.38) MTNR1AMTNR1BHTR2ACHRNB2CHRNA7
SCHEMBL16610430 0.82 CSNK2A1 (0.36) MTNR1AMTNR1BGPR84HTR2ACSNK2A1
SCHEMBL16610262 0.80 HTR1B (0.39) HTR2AMEN1KMT2AHTR1A
SCHEMBL18080754 0.78 CSNK2A1 (0.33) MTNR1AMTNR1BGPR84CSNK2A1CHRNB2
SCHEMBL16610253 0.78 CYP2D6 (0.49) HTR2ACSNK2A1MEN1KMT2AHTR2B
SCHEMBL20476417 0.77 HTR1A (0.42) HTR2ACHRNB2CHRNA7CHRNA4MEN1
SCHEMBL16610434 0.76 MTNR1A (0.46) MTNR1AMTNR1BMEN1KMT2AHTR2B
SCHEMBL31609637 0.76 HTR2C (0.47) MTNR1AMTNR1BGPR84HTR2ACSNK2A1
SCHEMBL18080755 0.76 HTR2C (0.47) MTNR1AMTNR1BGPR84HTR2ACSNK2A1

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 MTNR1A 3585/4885MTNR1B 3432/4885PRMT5 1321/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 MTNR1A 3559/4885MTNR1B 3351/4885PRMT5 1297/4885

“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.