SCHEMBL2117106

SCHEMBL2117106

Oc1cc(O)nc(-c2c(F)ccc3ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.42
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B14 Q9BPX1 2/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL2116126 0.76 CYP2A6 (0.41) HPRT1NPC1L3MBTL1MAPTMAPK1
SCHEMBL29216526 0.74 PTPN22 (0.52) HPRT1NPC1L3MBTL1KDM4EMAPT
SCHEMBL2115245 0.73 CASP6 (0.53) HPRT1NPC1L3MBTL1KDM4EMAPT
SCHEMBL29213863 0.71 ESR1 (0.46) HPRT1NPC1L3MBTL1MAPTMEN1
SCHEMBL631742 0.71 HSD17B1 (0.44) HPRT1KDM4EMAPTMEN1RAB9A
SCHEMBL10498384 0.71 CYP1A2 (0.45) NPC1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL24891368 0.70 PTPN22 (0.56) KDM4EMAPTMEN1KMT2APTPN22
SCHEMBL3153755 0.70 ALDH1A1 (0.46) HPRT1NPC1MAPTRAB9AWDR5
SCHEMBL590476 0.69 PTPN22 (0.60) HPRT1NPC1L3MBTL1MEN1RAB9A
SCHEMBL7719797 0.68 DNMT1 (0.46) HPRT1KDM4EMAPTMEN1RAB9A

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 HPRT1 9/4885NPC1 4790/4885L3MBTL1 3434/4885

“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.