SCHEMBL2625714

SCHEMBL2625714

Cc1ncc(-c2ccc([N+](=O)[O-])cc2CO)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.38
PIK3CG P48736 5/20 0.38
PIK3C3 Q8NEB9 5/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PIK3R2 O00459 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3R3 Q92569 1/20 0.37
ALDH1A1 P00352 4/20 0.37
PIK3CB P42338 2/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TLR8 Q9NR97 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7891466 0.80 S1PR4 (0.41) PIK3CDPIK3CGPIK3C3CA12CA1
SCHEMBL7897491 0.78 PIK3CD (0.45) PIK3CDPOLBMAPTALDH1A1TSHR
SCHEMBL16063166 0.78 KMT2A (0.51) CA12CA2CA9POLBMAPT
SCHEMBL7897519 0.77 KMT2A (0.42) TLR2TLR1POLBMAPTALDH1A1
SCHEMBL2625715 0.77 LRRK2 (0.45) PIK3CDPIK3CGPIK3C3CA12CA1
SCHEMBL679942 0.77 PTPRC (0.52) CA1CA2CA9POLBMAPT
SCHEMBL29449526 0.77 PTPRC (0.52) CA1CA2CA9POLBMAPT
SCHEMBL14267739 0.76 IMPDH2 (0.42) TLR2TLR1CA1CA2CA9
SCHEMBL2625712 0.74 TLR2 (0.38) TLR2TLR1CA1CA2CA9
SCHEMBL7894269 0.74 ALDH1A1 (0.42) PIK3CDPIK3CGPIK3C3TLR2TLR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
US-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 US disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
US-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
US-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
WO-2011086099-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 WO disclosed
WO-2011086098-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 WO disclosed
WO-2010145883-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-12-23 WO disclosed
WO-2010089292-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-12 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 (5 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-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PIK3CD 833/4885PIK3CG 1040/4885PIK3C3 2198/4885
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PIK3CD 454/4885PIK3CG 677/4885PIK3C3 1069/4885
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PIK3CD 792/4885PIK3CG 900/4885PIK3C3 3483/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PIK3CD 792/4885PIK3CG 900/4885PIK3C3 3483/4885
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PIK3CD 766/4885PIK3CG 948/4885PIK3C3 2570/4885

“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.