SCHEMBL16601901

SCHEMBL16601901

Nc1cnc(-c2cccnc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP2A6 P11509 8/20 0.58
CYP3A4 P08684 5/20 0.58
CYP2E1 P05181 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2B6 P20813 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP2D6 P10635 2/20 0.58
HPGDS O60760 1/20 0.54
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP19A1 P11511 2/20 0.46
AXL P30530 2/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
PBRM1 Q86U86 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
Hydrochloric Acid SCHEMBL17101469 0.98 KDM4E (0.57) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2E1
SCHEMBL12279413 0.81 HPGDS (0.71) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2E1
SCHEMBL5154428 0.80 ALDH1A1 (0.49) KDM4ESMN1; SMN2HPGDSCYP1A2ALDH1A1
SCHEMBL2684464 0.79 KDM4E (0.52) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2E1
SCHEMBL8031390 0.78 HPGDS (0.54) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2E1
SCHEMBL2820252 0.78 HPGDS (0.54) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2E1
SCHEMBL17803411 0.75 HPGDS (0.68) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2E1
SCHEMBL16088995 0.75 HPGDS (0.51) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2E1
SCHEMBL5392323 0.75 CYP3A4 (0.56) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2C9
SCHEMBL29548990 0.75 CYP3A4 (0.56) KDM4ESMN1; SMN2CYP2A6CYP3A4CYP2C9

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
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed
CN-108812681-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2021-02-26 CN disclosed
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP disclosed
CN-106458983-A Novel compound 拜耳制药股份公司 2017-02-22 CN disclosed
EP-2855468-B1 PROCESSES TO PRODUCE CERTAIN 2-(PYRIDINE-3-YL)THIAZOLES DOW AGROSCIENCES LLC (US) 2016-11-02 EP disclosed
EP-2855468-B1 PROCESSES TO PRODUCE CERTAIN 2-(PYRIDINE-3-YL)THIAZOLES DOW AGROSCIENCES LLC (US) 2016-11-02 EP disclosed
EP-3062619-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-09-07 EP disclosed
CN-105682462-A Pesticidal compositions and methods related thereto 美国陶氏益农公司 2016-06-15 CN disclosed
CN-105658059-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-08 CN disclosed
EP-2604267-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-02-03 EP disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
EP-2604268-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed
CN-104603131-A Process for preparing certain 2- (pyridin-3-yl) thiazoles DOW AGROSCIENCES LLC 2015-05-06 CN disclosed
WO-2015061151-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-8993769-B2 Processes to produce certain 2-(pyridine-3-yl)thiazoles DOW AGROSCIENCES, LLC. (US) 2015-03-31 US disclosed
US-8993769-B2 Processes to produce certain 2-(pyridine-3-yl)thiazoles DOW AGROSCIENCES, LLC. (US) 2015-03-31 US disclosed
US-8993769-B2 Processes to produce certain 2-(pyridine-3-yl)thiazoles DOW AGROSCIENCES, LLC. (US) 2015-03-31 US disclosed
US-20130324735-A1 PROCESSES TO PRODUCE CERTAIN 2-(PYRIDINE-3-YL)THIAZOLES CORTEVA AGRISCIENCE LLC 2013-12-05 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 (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-20130324735-A1 PROCESSES TO PRODUCE CERTAIN 2-(PYRIDINE-3-YL)THIAZOLES PTMS, TH, TPP2 KDM4E 1681/4885SMN1; SMN2 3827/4885CYP2A6 253/4885
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 KDM4E 1162/4885SMN1; SMN2 2418/4885CYP2A6 2776/4885

“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.