SCHEMBL16610432

SCHEMBL16610432

N#CCCc1c[nH]c2cc(Br)ncc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.44
SLC6A4 P31645 3/20 0.42
MPO P05164 2/20 0.42
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2A P28223 3/20 0.34
HTR6 P50406 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CHEK1 O14757 1/20 0.34
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HTR2C P28335 1/20 0.31
GPR84 Q9NQS5 1/20 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
SCHEMBL16610215 0.85 CSNK2A1 (0.62) CSNK2A1SLC6A4MPOCHRNB2CHRNA7
SCHEMBL31609637 0.80 HTR2C (0.47) CSNK2A1SLC6A4MPOCHRNB2CHRNA7
SCHEMBL20476417 0.78 HTR1A (0.42) SLC6A4MPOCHRNB2CHRNA7CHRNA4
SCHEMBL16610220 0.78 HTR2C (0.39) SLC6A4MPOCHRNB2CHRNA7CHRNA4
SCHEMBL16610430 0.76 CSNK2A1 (0.36) CSNK2A1CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL22122400 0.76 CHRNB2 (0.60) CSNK2A1SLC6A4MPOCHRNB2CHRNA7
SCHEMBL16610301 0.74 CHRNB2 (0.36) SLC6A4CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL16610221 0.74 MTNR1B (0.38) SLC6A4CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL16610353 0.73 MTNR1A (0.35) CSNK2A1CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL11949508 0.73 CSNK2A1 (0.72) CSNK2A1SLC6A4MPOCHRNB2CHRNA7

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 CSNK2A1 710/4885SLC6A4 4861/4885MPO 1207/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 CSNK2A1 628/4885SLC6A4 4861/4885MPO 1199/4885

“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.