SCHEMBL2118698

SCHEMBL2118698

Oc1cc(O)nc(Cc2ccncc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.46
CYP11B1 P15538 8/20 0.46
CYP11B2 P19099 8/20 0.46
CYP3A4 P08684 7/20 0.46
CYP19A1 P11511 5/20 0.46
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR6 P50406 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.37
SLC2A4 P14672 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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 0.81 BCL2 (0.48) CYP3A4TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL229340 0.79 BCL2 (0.47) CYP3A4TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL29167045 0.72 HTR6 (0.58) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL28818099 0.72 HTR6 (0.58) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL721736 0.71 CYP17A1 (0.61) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL2118469 0.71 CYP3A4 (0.41) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL9321232 0.71 BCL2 (0.42) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13067250 0.71 ALDH1A1 (0.47) CYP3A4MAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL2117868 0.69 ALOX5 (0.46) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL14257671 0.69 CYP17A1 (0.54) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1

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 CYP17A1 2921/4885CYP11B1 2485/4885CYP11B2 1846/4885

“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.