SCHEMBL2265758

SCHEMBL2265758

CNc1ncc(C)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.45
NOS2 P35228 4/20 0.45
NOS1 P29475 3/20 0.45
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
UHRF1 Q96T88 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL15426471 0.78 NOS3 (0.41) NOS3NOS2NOS1ALDH1A1KDM4E
SCHEMBL15426467 0.78 NOS3 (0.41) NOS3NOS2NOS1ALDH1A1KDM4E
SCHEMBL13199572 0.77 NOS3 (0.48) NOS3NOS2NOS1CYP2A6ALDH1A1
SCHEMBL9952855 0.77 IDO1 (0.35) UHRF1PDPK1
SCHEMBL2241231 0.77 MEN1 (0.37) ALDH1A1LMNAGAAMAPTTDP1
SCHEMBL1619871 0.77 KMT2A (0.43) ALDH1A1KDM4EUHRF1LMNAMAPT
SCHEMBL20708654 0.76 NOS3 (0.37) NOS3NOS2NOS1CYP2A6CCR1
Hydrochloric Acid SCHEMBL28718520 0.76 NOS3 (0.46) NOS3NOS2NOS1CYP2A6ALDH1A1
SCHEMBL15426469 0.75 ALDH1A1 (0.41) NOS3NOS2NOS1ALDH1A1KDM4E
SCHEMBL15426473 0.75 MAPK1 (0.41) NOS3NOS2NOS1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9668482-B1 Fused heterocyclic compound and pest control application thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-20170135348-A1 FUSED HETEROCYCLIC COMPOUND AND PEST CONTROL APPLICATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-9156838-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-20150246911-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-03 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 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 (7 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 NOS3 834/4885NOS2 1234/4885NOS1 859/4885
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 NOS3 372/4885NOS2 425/4885NOS1 260/4885
US-20150246911-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR4A3, NR4A2 NOS3 621/4885NOS2 2188/4885NOS1 1590/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 NOS3 755/4885NOS2 1161/4885NOS1 800/4885
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH NOS3 3059/4885NOS2 2890/4885NOS1 2944/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 NOS3 372/4885NOS2 425/4885NOS1 260/4885
US-20170135348-A1 FUSED HETEROCYCLIC COMPOUND AND PEST CONTROL APPLICATION THEREOF KEAP1, DDT, CYP4B1 NOS3 285/4885NOS2 166/4885NOS1 109/4885

“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.