SCHEMBL16202025

SCHEMBL16202025

Cc1ncn(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
NOTUM Q6P988 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK10 P53779 4/20 0.39
CASR P41180 4/20 0.39
BRAF P15056 2/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGS2 P35354 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ATM Q13315 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL20320415 0.80 NOTUM (0.55) KCNH2NOTUM
SCHEMBL16202024 0.79 MAPK10 (0.42) NOTUMMAPK10
SCHEMBL13183810 0.79 ALDH1A1 (0.45) NOTUMMAPK10CYP11B2ADORA3
SCHEMBL18284894 0.79 DHFR (0.42) KCNH2NOTUMTDP1CASRBRAF
SCHEMBL16030261 0.79 NOTUM (0.41) KCNH2NOTUMTDP1CASRBRAF
SCHEMBL10360310 0.79 NOTUM (0.44) KCNH2NOTUMTDP1CASRBRAF
SCHEMBL14617482 0.78 POLB (0.46) MAPK10PTGS2
SCHEMBL31348082 0.78 MAPT (0.47) TDP1
SCHEMBL22184942 0.78 CASR (0.42) KCNH2NOTUMTDP1CASRBRAF
SCHEMBL17380732 0.78 MAPT (0.39) KCNH2BRAFSRCKDRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO 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
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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-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 KCNH2 1508/4885NOTUM 2/4885TDP1 2854/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KCNH2 1781/4885NOTUM 3419/4885TDP1 1107/4885

“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.