SCHEMBL2533763

SCHEMBL2533763

BrCCc1ccc(Br)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
GRM2 Q14416 1/20 0.38
PARP1 P09874 1/20 0.37
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
CYP19A1 P11511 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4590967 0.87 CYP11B1 (0.42) CYP11B1TDP1GRM2PARP1NPC1
SCHEMBL20576042 0.85 CYP11B1 (0.41) CYP11B1TDP1GRM2PARP1NPC1
SCHEMBL485115 0.81
SCHEMBL29725206 0.81
SCHEMBL1585757 0.80 TAAR1 (0.52) CYP11B1TDP1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL5855 0.80 CYP11B1 (0.43) CYP11B1GRM2PARP1NPC1NFKB1
SCHEMBL5628 0.80 CYP11B1 (0.43) CYP11B1TDP1GRM2PARP1NPC1
SCHEMBL1874677 0.80 SMN1; SMN2 (0.46) CYP11B1TDP1GRM2NPC1NFKB1
SCHEMBL2094576 0.80 CYP11B1 (0.43) CYP11B1GRM2PARP1NPC1NFKB1
SCHEMBL12854771 0.78 MAOA (0.45) CYP11B1TDP1GRM2TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377857-A Novel azabenzimidazole derivatives BOEHRINGER INGELHEIM INT 2016-03-02 CN disclosed
CN-102666541-B Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES, INC. (US) 2015-11-25 CN disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
CN-102427853-B Protease Inhibitors ORION CORP 2014-11-05 CN disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
CN-103596951-A 8-ethyl-6-(aryl)pyrido [2,3-d]pyrimidin-7(8h)-ones for the treatment of nervous system disorders and cancer AFRAXIS INC 2014-02-19 CN disclosed
CN-101228115-A Bis-aromatic amides and their uses as sweet flavor modifiers, tastants and taste enhancers SENOMYX INC (US) 2008-07-23 CN disclosed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN disclosed
CN-100343233-C Malononitrile compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-10-17 CN disclosed
CN-101010339-A Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2007-08-01 CN disclosed
CN-1863779-A Novel indazole derivative UBE INDUSTRIES (JP) 2006-11-15 CN disclosed
CN-1805943-A Alpha substituted carboxylic acid as PPAR modulators PFIZER (US) 2006-07-19 CN disclosed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN disclosed
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN disclosed
CN-1039228-C Novel substituted tert-amino compund YAMANOUCHI PHARMA CO LTD (JP) 1998-07-22 CN disclosed
CN-1079962-A New substituted tertiary amine compound and salt thereof YAMANOUCHI PHARMA CO LTD (JP) 1993-12-29 CN 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 (1 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-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 CYP11B1 2901/4885TDP1 934/4885GRM2 3266/4885

“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.