SCHEMBL3835517

SCHEMBL3835517

CCOC(=O)c1cn(-c2ccccn2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
HPGD P15428 2/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 6/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 3/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DGAT1 O75907 1/20 0.46
SLC11A2 P49281 1/20 0.46
PTGS2 P35354 1/20 0.45

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
SCHEMBL12282767 0.87 HPGD (0.60) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL21724028 0.86 NPC1 (0.53) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL407666 0.84 DGAT1 (0.62) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL26659396 0.83 NPSR1 (0.47) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL9821654 0.83 NPC1 (0.53) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL18134668 0.82 NPC1 (0.49) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL3835980 0.82 ALKBH2 (0.52) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL27784146 0.82 HPGD (0.51) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL5803621 0.82 NPC1 (0.52) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL18134648 0.81 DGAT1 (0.52) NPC1RAB9AHPGDTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US claimed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP claimed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 WO claimed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 WO disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK NPC1 614/4885RAB9A 3908/4885HPGD 1893/4885
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A NPC1 4006/4885RAB9A 1516/4885HPGD 155/4885

“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.