SCHEMBL244016

SCHEMBL244016

Cc1noc(-c2ccccc2)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
BRD2 P25440 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDO2 P48775 1/20 0.43
SLC6A9 P48067 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
PTPN1 P18031 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HDAC1 Q13547 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL13435 0.97 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL27743828 0.86 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL18597734 0.86 RAB9A (0.38) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL8976521 0.85 BRD4 (0.48) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1185 0.84 CYP1A2 (0.44) ALDH1A1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL14789800 0.84 RAB9A (0.37) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL2413945 0.82 BRD4 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3075233 0.82 ALDH1A1 (0.48) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11994167 0.79 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3984438 0.79 BRD4 (0.45) BRD4BRD2ALDH1A1MAPTSMN1; SMN2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2690095-A1 Aryl gpr120 receptor agonists and uses thereof Camabay Therapeutics, Inc. (US) 2014-01-29 EP disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8236963-B2 Tricyclic spiro derivatives as CRTH2 modulators MERCK SERONO SA (CH) 2012-08-07 US disclosed
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
EP-1891075-B1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO SA (CH) 2011-10-19 EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
EP-1891075-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2008-02-27 EP disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
WO-2006125784-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2006-11-30 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 BRD4 2544/4885BRD2 3096/4885ALDH1A1 184/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 BRD4 286/4885BRD2 669/4885ALDH1A1 451/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 BRD4 657/4885BRD2 3607/4885ALDH1A1 1580/4885
US-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD BRD4 494/4885BRD2 248/4885ALDH1A1 4208/4885
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation TYMP, DPYD, TYMS BRD4 1978/4885BRD2 2969/4885ALDH1A1 650/4885

“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.