SCHEMBL16610216

SCHEMBL16610216

CN1CC=C(c2c[nH]c3cc(Br)ncc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.62
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HTR1A P08908 1/20 0.57
ALOX15 P16050 1/20 0.57
HTR6 P50406 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL30692838 0.90 SLC6A4 (0.66) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL29546618 0.85 SLC6A4 (0.62) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL24377932 0.85 SLC6A4 (0.62) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL16610309 0.82 SLC6A4 (0.42) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4671416 0.80 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL16610316 0.78 GABRP (0.56) POLBHTR6
SCHEMBL2065242 0.77 SLC6A4 (0.67) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL1275594 0.77 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7859785 0.76 SLC6A4 (0.72) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7864995 0.76 SLC6A4 (0.72) SLC6A4KDM4ELMNAPOLBHTR1A

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 SLC6A4 4532/4885KDM4E 1640/4885LMNA 3960/4885
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 SLC6A4 4861/4885KDM4E 1250/4885LMNA 2869/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 SLC6A4 4861/4885KDM4E 1312/4885LMNA 2906/4885

“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.