SCHEMBL20320623

SCHEMBL20320623

Cc1nc(C)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.46
MAPK10 P53779 3/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GRM1 Q13255 2/20 0.42
NOTUM Q6P988 1/20 0.41
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL24359770 0.83 PDE10A (0.42) KMT2APOLBMAPK10NPC1RAB9A
SCHEMBL10360347 0.81 KMT2A (0.54) KMT2APOLBNPC1GAARAB9A
SCHEMBL21893501 0.80 MAPK10 (0.46) KMT2AMAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL3758184 0.80 NPC1 (0.44) KMT2AMAPK10NPC1GAARAB9A
SCHEMBL18136489 0.79 SMN1; SMN2 (0.46) POLBNPC1GAARAB9ASMN1; SMN2
SCHEMBL16202022 0.78 GAA (0.48) KMT2AGAASMN1; SMN2MAPTALDH1A1
SCHEMBL20320550 0.78 POLB (0.41) KMT2APOLBNPC1GAARAB9A
SCHEMBL28456766 0.77 KMT2A (0.43) KMT2APOLBNPC1GAARAB9A
SCHEMBL25267352 0.77 POLB (0.41) KMT2APOLBNPC1GAARAB9A
SCHEMBL20320329 0.77 PTGS2 (0.45) KMT2APOLBNPC1GAARAB9A

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 2 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-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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 (1 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 KMT2A 2086/4885POLB 4074/4885MAPK10 3492/4885

“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.