SCHEMBL16610221

SCHEMBL16610221

COCCCc1c[nH]c2cc(Br)ncc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.38
MTNR1A P48039 2/20 0.38
SLC6A4 P31645 3/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR2A P28223 1/20 0.36
HTR1A P08908 7/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1B P28222 4/20 0.35
HTR1D P28221 3/20 0.35
HTR6 P50406 1/20 0.35
IP6K1 Q92551 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
SCHEMBL18080758 0.92 MTNR1B (0.39) MTNR1BMTNR1ACHRNB2CHRNA7CHRNA4
SCHEMBL1046830 0.89 MTNR1B (0.45) MTNR1BMTNR1ASLC6A4HTR2AHTR1A
SCHEMBL20476417 0.84 HTR1A (0.42) SLC6A4CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL16610353 0.82 MTNR1A (0.35) MTNR1BMTNR1ACHRNB2CHRNA7CHRNA4
SCHEMBL16610220 0.81 HTR2C (0.39) MTNR1BMTNR1ASLC6A4CHRNB2CHRNA7
SCHEMBL28007656 0.79 HCAR2 (0.40) MTNR1BMTNR1ASLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL28007658 0.78 HCAR2 (0.39) MTNR1BMTNR1ASLC6A4MEN1KMT2A
SCHEMBL18080755 0.78 HTR2C (0.47) MTNR1BMTNR1ASLC6A4CHRNB2CHRNA7
SCHEMBL31609637 0.78 HTR2C (0.47) MTNR1BMTNR1ASLC6A4CHRNB2CHRNA7
SCHEMBL16610434 0.77 MTNR1A (0.46) MTNR1BMTNR1ASLC6A4MEN1KMT2A

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 7 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-10323045-B2 Thienopyrimidine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 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-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 (3 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-10323045-B2 Thienopyrimidine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 MTNR1B 3821/4885MTNR1A 4314/4885SLC6A4 4532/4885
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 MTNR1B 3432/4885MTNR1A 3585/4885SLC6A4 4861/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 MTNR1B 3351/4885MTNR1A 3559/4885SLC6A4 4861/4885

“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.