SCHEMBL20320533

SCHEMBL20320533

Cc1cc(C(F)(F)F)c(N)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.56
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
PIK3CA P42336 1/20 0.35
PIK3CD O00329 1/20 0.35
CFTR P13569 3/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
AR P10275 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CA2 P00918 2/20 0.33
CHKA P35790 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
CA12 O43570 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
SCHEMBL29498290 0.80 CA2 (0.43) PIK3CAPIK3CDGLAPOLBGAA
SCHEMBL15857991 0.79 UHRF1 (0.39) UHRF1HSD17B10HPGDHSP90AA1HSP90AB1
SCHEMBL24228137 0.78 CA2 (0.47) HSD17B10HPGDHSP90AA1HSP90AB1PIK3CA
SCHEMBL6921026 0.77 UHRF1 (0.43) UHRF1HSD17B10HPGDHSP90AA1HSP90AB1
SCHEMBL21232345 0.77 UHRF1 (0.54) UHRF1CFTRGAACYP1A2CYP2A6
SCHEMBL28063333 0.77 PIK3CD (0.34) UHRF1HSD17B10HPGDHSP90AA1HSP90AB1
SCHEMBL25321115 0.77 PIK3CD (0.41) HSD17B10HPGDPIK3CAPIK3CDGLA
SCHEMBL3937538 0.76 AR (0.38) UHRF1HSD17B10HPGDPIK3CDCFTR
SCHEMBL13073943 0.76 UHRF1 (0.46) UHRF1HSD17B10HPGDHSP90AA1HSP90AB1
SCHEMBL25787773 0.76 HPGD (0.37) UHRF1HSD17B10HPGDHSP90AA1HSP90AB1

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 UHRF1 3487/4885HSD17B10 237/4885HPGD 81/4885

“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.