SCHEMBL2117943

SCHEMBL2117943

Oc1cc(O)nc(-c2nc(Cc3ccccc3)co2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
BRD4 O60885 7/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
IDH1 O75874 2/20 0.38
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
CHUK O15111 1/20 0.35
TXNRD1 Q16881 1/20 0.35
NOX4 Q9NPH5 1/20 0.35

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
SCHEMBL2117407 0.79 DRD2 (0.43) PPARGPPARABRD4DRD2DRD4
SCHEMBL4542844 0.77 CHUK (0.42) PPARGPPARABRD4DRD2DRD4
SCHEMBL1201119 0.74 DRD2 (0.43) PPARGPPARABRD4DRD2DRD4
SCHEMBL2116082 0.71 C1S (0.49) BRD4DRD2DRD4DRD3GAA
SCHEMBL28279483 0.71 EGFR (0.43) PPARGPPARADRD2DRD4DRD3
SCHEMBL29171105 0.70 CALM1 (0.42) DRD2DRD4DRD3TSHRKMT2A
SCHEMBL229621 0.69 BCL2 (0.48) IDH1GAATSHRKMT2AALDH1A1
SCHEMBL2262370 0.68 ENPP3 (0.44) BRD4GAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL23023619 0.68 CES1 (0.43) BRD4IDH1
SCHEMBL28226780 0.68 BRD4 (0.43) PPARGPPARABRD4IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARG 1275/4885PPARA 1381/4885BRD4 4681/4885

“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.