SCHEMBL291660

SCHEMBL291660

O=c1cc[nH]c2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.61
PARP1 P09874 3/20 0.44
AXL P30530 1/20 0.39
NUDT1 P36639 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.38
GRM4 Q14833 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
DAO P14920 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 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
SCHEMBL11167122 0.73 KMT2A (0.50) PSMD14PARP1KDM4ECYP1A2GRM4
SCHEMBL325051 0.72 PSMD14 (0.47) PSMD14PARP1KDM4EGRM4ADORA3
SCHEMBL8801077 0.72 AHR (0.48) PSMD14PARP1AXLNUDT1DAO
SCHEMBL17276036 0.72 SMN1; SMN2 (0.49) PSMD14PARP1KDM4ECYP1A2CYP3A4
SCHEMBL31434925 0.71 MAPK1 (0.50) AXLNUDT1KDM4EADORA2AADORA1
SCHEMBL3768476 0.71 PARP1 (0.43) PSMD14PARP1KDM4EGRM4ADORA3
SCHEMBL5746407 0.71 ADORA2A (0.53) PSMD14PARP1KDM4EADORA2AADORA1
SCHEMBL31114004 0.71 ALDH1A1 (0.43) PSMD14KDM4EADORA2AADORA1CCR8
SCHEMBL29408291 0.70
SCHEMBL709331 0.70 PSMD14 (0.53) PSMD14AXLNUDT1KDM4EDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013126156-A1 NITRIC OXIDE DONATING SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST COMPOUNDS AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2013-08-29 WO claimed
EP-2203160-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY Bausch & Lomb Incorporated (US) 2010-07-07 EP claimed
JP-2010502723-A 2010-01-28 JP claimed
JP-2010502635-A 2010-01-28 JP claimed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP claimed
EP-2121670-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS Bausch & Lomb Incorporated (US) 2009-11-25 EP claimed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed
EP-2086921-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS Bausch & Lomb Incorporated (US) 2009-08-12 EP claimed
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US claimed
EP-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 EP claimed
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye SALIX PHARMACEUTICALS, INC. 2008-01-10 US claimed
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP claimed
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 US claimed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP claimed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
US-4704459-A VILSMEIER REAGENT TOYAMA CHEMICAL CO., LTD. (JP) 1987-11-03 US claimed
CN-86100879-A Novel process for preparing 1-substituted aryl-1, 4-dihydro-4-oxo-1, 8-naphthyridine derivatives and intermediates thereof 1986-12-17 CN claimed
CN-85103150-A Process for producing antibacterial agent containing 1, 4-dihydro-4-oxo-1, 8-naphthyridine derivative and salt thereof 1986-10-22 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF NR3C1, NR3C2, MC2R PSMD14 3576/4885PARP1 3152/4885AXL 2297/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 PSMD14 3658/4885PARP1 2851/4885AXL 2221/4885
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye NR3C1, GCGR, GPBAR1 PSMD14 3472/4885PARP1 3952/4885AXL 766/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PSMD14 4046/4885PARP1 3394/4885AXL 2930/4885

“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.