SCHEMBL266592

SCHEMBL266592

Cc1nc(-c2cccnc2)sc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.61
CYP1A2 P05177 5/20 0.61
CYP2C19 P33261 4/20 0.61
LMNA P02545 1/20 0.61
CYP2A6 P11509 5/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2E1 P05181 2/20 0.56
CYP2B6 P20813 2/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
ALOX5 P09917 1/20 0.51
CYP2D6 P10635 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP19A1 P11511 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AXL P30530 1/20 0.49

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
Formamide SCHEMBL16108314 0.91 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL12278149 0.84 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL17590206 0.83 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL9630496 0.83 ALOX5 (0.65) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL290740 0.83 CYP3A4 (0.62) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL2726007 0.83 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL1679638 0.83 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL17590205 0.83 CYP2A6 (0.53) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL12040235 0.83 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL12040234 0.83 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19LMNACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4080457-A INSECTICIDES, PESTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. 1978-03-21 US claimed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
US-9339032-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-17 US disclosed
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2604267-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-02-03 EP disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
US-4260765-A APHIDICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4080457-A INSECTICIDES, PESTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. 1978-03-21 US 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 CYP3A4 3830/4885CYP1A2 3074/4885CYP2C19 3774/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CYP3A4 1324/4885CYP1A2 980/4885CYP2C19 546/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CYP3A4 135/4885CYP1A2 26/4885CYP2C19 108/4885
US-20100234312-A1 AVERMECTIN DERIVATIVES OXTR, C3AR1, CBR3 CYP3A4 332/4885CYP1A2 127/4885CYP2C19 386/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 CYP3A4 1005/4885CYP1A2 2147/4885CYP2C19 281/4885

“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.