SCHEMBL2117868

SCHEMBL2117868

Oc1cc(O)nc(Cc2ccc3cc4ccccc4cc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CETP P11597 2/20 0.40
NQO1 P15559 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37

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
SCHEMBL229621 0.79 BCL2 (0.48) ALOX5CYP1A2CYP2D6MEN1ALDH1A1
SCHEMBL2115442 0.77 CETP (0.42) ALOX5CYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL229340 0.77 BCL2 (0.47) ALOX5CYP1A2CYP2D6MEN1ALDH1A1
SCHEMBL28846677 0.76 CYP1A2 (0.60) ALOX5CYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL27870176 0.73 ALOX5 (0.65) ALOX5CYP1A2CYP2A6CYP2D6CETP
SCHEMBL28751550 0.72 CALM1 (0.55) ALOX5CYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL6252461 0.72 CALM1 (0.55) ALOX5CYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL2838141 0.71 CYP1A2 (0.65) ALOX5CYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL20930067 0.70 CYP1A2 (0.52) ALOX5CYP1A2CYP2A6ALDH1A1KMT2A
SCHEMBL29519804 0.70 CYP1A2 (0.52) ALOX5CYP1A2CYP2A6ALDH1A1

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
CN-101646657-B Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL CO JP 2012-08-08 CN disclosed
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST ALOX5 2317/4885CYP1A2 777/4885CYP2A6 647/4885

“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.