SCHEMBL291163

SCHEMBL291163

CNc1cnc(-c2cccnc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.61
CYP3A4 P08684 6/20 0.61
CYP2C9 P11712 4/20 0.61
CYP2C19 P33261 4/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2E1 P05181 3/20 0.61
CYP2B6 P20813 3/20 0.61
HPGDS O60760 1/20 0.50
CYP1A2 P05177 3/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 2/20 0.42
AXL P30530 1/20 0.42
PBRM1 Q86U86 1/20 0.42

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
SCHEMBL16807422 0.83 CYP2A6 (0.49) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL32674469 0.83 CYP2A6 (0.49) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL23221316 0.82 NPC1 (0.49) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL30994438 0.81 CYP2A6 (0.48) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL29282727 0.81 CYP2A6 (0.48) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL28424398 0.81 NPC1 (0.47) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL28148469 0.80 HPGDS (0.47) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL17011128 0.78 HPGDS (0.46) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL8655571 0.78 CYP2C9 (0.46) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2820252 0.77 HPGDS (0.54) CYP2A6CYP3A4CYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
EP-2855467-B1 PROCESSES TO PRODUCE CERTAIN 2-(PYRIDINE-3-YL)THIAZOLES DOW AGROSCIENCES LLC (US) 2016-12-07 EP disclosed
EP-2855466-B1 PROCESSES TO PRODUCE CERTAIN 2-(PYRIDINE-3-YL)THIAZOLES DOW AGROSCIENCES LLC (US) 2016-11-09 EP disclosed
CN-104507935-B Process for preparing certain 2- (pyridin-3-yl) thiazoles 美国陶氏益农公司 2016-10-19 CN disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
EP-2427191-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-03-14 EP disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP2A6 1553/4885CYP3A4 1402/4885CYP2C9 806/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP2A6 1553/4885CYP3A4 1402/4885CYP2C9 806/4885

“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.