SCHEMBL825926

SCHEMBL825926

O=C(NC1CC1)c1cccs1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.84
NPC1 O15118 5/20 0.84
HPGD P15428 2/20 0.84
TSHR P16473 2/20 0.84
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
ALDH1A1 P00352 1/20 0.84
CYP1A2 P05177 1/20 0.84
CYP3A4 P08684 1/20 0.84
CYP2D6 P10635 1/20 0.84
CYP2C19 P33261 1/20 0.84
HSD17B10 Q99714 2/20 0.70
GAA P10253 1/20 0.60
HDAC1 Q13547 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL12181432 0.93 RAB9A (0.90) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL6204318 0.92 RAB9A (0.73) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL6204319 0.92 RAB9A (0.73) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL12181229 0.91 RAB9A (1.00) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL3456092 0.91 RAB9A (1.00) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL359241 0.90 RAB9A (0.74) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL27876089 0.84 RAB9A (0.66) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL1279112 0.80 RAB9A (0.69) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL1279114 0.80 RAB9A (0.69) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL19463258 0.79 KDM4E (0.79) TSHRALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US claimed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
CN-115710287-B Ring-opening boronation reaction method for cyclopropane compound under no metal catalysis 中国科学院兰州化学物理研究所 2024-01-09 CN disclosed
CN-115710287-A Ring-opening boronization reaction method of cyclopropane compound under condition of no metal catalysis 中国科学院兰州化学物理研究所 2023-02-24 CN disclosed
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
CN-108026072-A Substituted oxopyridine derivatives 拜耳制药股份公司 2018-05-11 CN disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
EP-1951677-B1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-09-02 EP disclosed
CN-100526310-C Cyclopropyl-thienyl-carboxamides useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2009-08-12 CN disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
US-7312179-B2 Cyclopropyl-thienyl-carboxamide as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2007-12-25 US disclosed
US-20060030567-A1 Cyclopropyl-thienyl-carboxamide as fungicides SYNGENTA CROP PROTECTION, INC. 2006-02-09 US disclosed
CN-1708496-A Cyclopropyl-thienyl-carboxamide as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-12-14 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 (3 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-20060030567-A1 Cyclopropyl-thienyl-carboxamide as fungicides CBR3, CBR1, CYP8B1 RAB9A 3632/4885NPC1 2628/4885HPGD 460/4885
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP RAB9A 3030/4885NPC1 3135/4885HPGD 1119/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 RAB9A 739/4885NPC1 1077/4885HPGD 2246/4885

“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.