SCHEMBL16610309

SCHEMBL16610309

Brc1cc2[nH]cc(C3=CCN(C4CC4)CC3)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.42
OPRL1 P41146 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
ALOX15 P16050 3/20 0.38
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.38
HTR6 P50406 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDO2 P48775 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL16610216 0.82 SLC6A4 (0.62) SLC6A4KDM4ELMNAALOX15POLB
SCHEMBL18080765 0.73 HTR1A (0.40) SLC6A4OPRL1KDM4EHTR1A
SCHEMBL16610316 0.73 GABRP (0.56) POLBHTR6
SCHEMBL30692838 0.72 SLC6A4 (0.66) SLC6A4KDM4ELMNAALOX15POLB
SCHEMBL6194848 0.69 HTR1A (0.56) SLC6A4KDM4ELMNAALOX15POLB
SCHEMBL24377932 0.68 SLC6A4 (0.62) SLC6A4KDM4ELMNAALOX15POLB
SCHEMBL29546618 0.68 SLC6A4 (0.62) SLC6A4KDM4ELMNAALOX15POLB
SCHEMBL8724040 0.67 HTR1A (0.56) SLC6A4KDM4ELMNAALOX15POLB
SCHEMBL6996256 0.63 SLC6A4 (0.56) SLC6A4HTR1AHTR6HTT
SCHEMBL21880169 0.63

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 SLC6A4 4861/4885OPRL1 3452/4885KDM4E 1250/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 SLC6A4 4861/4885OPRL1 3417/4885KDM4E 1312/4885

“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.