SCHEMBL16610233

SCHEMBL16610233

Cc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3cnc(Br)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ KLK7 P49862 7/20 0.42

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
SCHEMBL18080762 0.84 HTR6 (0.49) HTR6HTR1AKLK7
Hydrochloric Acid SCHEMBL26911957 0.81 HTR6 (0.57) HTR6HTR1AKLK7
SCHEMBL16610232 0.80 SCN9A (0.44) HTR6
SCHEMBL31543235 0.80 HTR6 (0.48) HTR6HTR1AKLK7
Hydrochloric Acid SCHEMBL26911823 0.80 HTR6 (0.56) HTR6HTR1AKLK7
SCHEMBL1570896 0.79 HTR6 (0.82) HTR6HTR1AKLK7
Hydrochloric Acid SCHEMBL26911670 0.79 HTR6 (0.57) HTR6HTR1AKLK7
SCHEMBL21880215 0.79 HTR6 (0.50) HTR6KLK7
Hydrochloric Acid SCHEMBL26911638 0.78 HTR6 (0.56) HTR6HTR1AKLK7
Hydrochloric Acid SCHEMBL26912043 0.77 HTR6 (0.79) HTR6HTR1AKLK7

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 4 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-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 HTR6 4764/4885HTR1A 4755/4885KLK7 1143/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 HTR6 4785/4885HTR1A 4739/4885KLK7 1165/4885

“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.

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