SCHEMBL18080760

SCHEMBL18080760

Cc1ccc(S(=O)(=O)n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c3cnc(Br)cc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.64
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ GABRE P78334 1/20 0.46
▸ GABRA6 Q16445 1/20 0.46
▸ GABRG1 Q8N1C3 1/20 0.46
▸ GABRG3 Q99928 1/20 0.46
▸ GABRQ Q9UN88 1/20 0.46
▸ SCN9A Q15858 2/20 0.45
▸ KIT P10721 2/20 0.44
▸ PDK4 Q16654 1/20 0.44

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
SCHEMBL20111981 0.82 HTR6 (0.61) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL20111995 0.80 HTR6 (0.57) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL16610232 0.80 SCN9A (0.44) HTR6SCN9AGPR119
SCHEMBL22777065 0.79 HTR6 (0.60) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL22777480 0.76 HTR6 (0.60) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL15555500 0.74 HTR6 (0.49) HTR6KITPDK4GPR119GRM1
SCHEMBL16610316 0.73 GABRP (0.56) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL9094675 0.73 HTR6 (0.69) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL15599329 0.73 HTR6 (0.48) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL16036262 0.73 KIT (0.46) HTR6GABRPGABRDGABRA1GABRB1

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 5 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

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 4764/4885GABRP 2584/4885GABRD 4340/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 HTR6 4785/4885GABRP 2742/4885GABRD 4443/4885

“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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