SCHEMBL1786367

SCHEMBL1786367

COc1ccc(NC(=O)c2cccnc2SCc2ccnc(N)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MAPT P10636 7/20 0.52
MEN1 O00255 7/20 0.52
GAA P10253 1/20 0.52
PPARG P37231 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDR P35968 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1786141 0.88 MAPT (0.54) KMT2AMAPTMEN1RAB9AKDR
SCHEMBL1786747 0.87 KDR (0.66) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL1789259 0.86 KDR (0.49) KMT2AKDR
SCHEMBL1791423 0.85 KDR (0.51) KMT2AMAPTKDRL3MBTL1LMNA
SCHEMBL1788040 0.85 EGLN1 (0.54) KMT2AMEN1GAARXFP1ALDH1A1
SCHEMBL1783816 0.84 KDR (0.46) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL1786885 0.82 NPC1 (0.53) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL1786652 0.82 KDR (0.45) KMT2AMEN1RAB9AALDH1A1KDR
SCHEMBL4017009 0.81 KDR (0.74) KMT2AMAPTMEN1GAAPPARG
SCHEMBL1786083 0.80 FADS1 (0.51) KMT2AMEN1RXFP1ALDH1A1KDR

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 KMT2A 2247/4885MAPT 4773/4885MEN1 3106/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KMT2A 2098/4885MAPT 4676/4885MEN1 2689/4885

“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.