SCHEMBL1787875

SCHEMBL1787875

COc1cc(OC)c(NC(=O)c2cccnc2SCc2ccnc(N)n2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
LMNA P02545 4/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
NOD2 Q9HC29 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GRM4 Q14833 1/20 0.44
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL4018659 0.83 KDR (0.61) KDM4EALDH1A1KMT2AIRAK4LMNA
SCHEMBL1941672 0.80 KDM4E (0.50) KDM4EALDH1A1KMT2AIRAK4LMNA
SCHEMBL1786367 0.80 KMT2A (0.52) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL1786747 0.78 KDR (0.66) KDM4EALDH1A1KMT2ALMNAMAPT
SCHEMBL1783816 0.78 KDR (0.46) KDM4EALDH1A1KMT2ALMNAMAPT
SCHEMBL16927707 0.78 MAPT (0.53) KDM4EKMT2APOLBMAPTMEN1
SCHEMBL1786652 0.76 KDR (0.45) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL1789259 0.74 KDR (0.49) KMT2A
SCHEMBL1786885 0.74 NPC1 (0.53) KDM4EALDH1A1KMT2AIRAK4LMNA
SCHEMBL1784269 0.74 KDR (0.42) KDM4EALDH1A1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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 (2 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 KDM4E 4274/4885ALDH1A1 134/4885KMT2A 2247/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDM4E 3990/4885ALDH1A1 185/4885KMT2A 2098/4885

“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.