SCHEMBL9914979

SCHEMBL9914979

CC[S+]([O-])c1cncnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL15275098 0.86 CYP1A2 (0.31) CYP1A2CYP3A4TSHRCLK4
SCHEMBL15868304 0.85 POLB (0.42) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL22901343 0.84 POLB (0.42) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL9914987 0.84 AGPAT2 (0.35) CYP1A2CYP3A4TSHRMEN1KMT2A
SCHEMBL14684622 0.84 POLB (0.42) POLBCYP1A2CYP3A4NPC1ALDH1A1
SCHEMBL29431642 0.84 POLB (0.42) POLBCYP1A2CYP3A4NPC1ALDH1A1
SCHEMBL14677434 0.84 POLB (0.42) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL23934201 0.83 POLB (0.42) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL116987 0.82 POLB (0.42) POLB
SCHEMBL17609333 0.82 POLB (0.40) POLBMEN1NPC1ALDH1A1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646433-B1 PYRIMIDINE COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2015-08-12 EP disclosed
US-9089136-B2 Pyrimidine compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-28 US disclosed
US-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-26 US disclosed
WO-2012074135-A1 PYRIMIDINE COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 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-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL ZCCHC8, RRS1, HRH4 POLB 1646/4885CYP1A2 386/4885CYP3A4 1237/4885

“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.