SCHEMBL1786964

SCHEMBL1786964

Cc1cc(C)cc(NC(=O)c2ccccc2SCc2ccnc(N)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
KDR P35968 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1783816 0.87 KDR (0.46) PKMKDRHSD17B10ALDH1A1KMT2A
SCHEMBL1785320 0.84 KDR (0.63) KDRHSD17B10ALDH1A1POLBALOX15
SCHEMBL1941030 0.83 PKM (0.57) PKMKDRHSD17B10ALDH1A1POLB
Hydrochloric Acid SCHEMBL3924243 0.82 PKM (0.56) PKMKDRHSD17B10ALDH1A1POLB
SCHEMBL1784766 0.82 L3MBTL1 (0.45) ALDH1A1TDP1KMT2AMEN1HPGD
SCHEMBL1786652 0.79 KDR (0.45) KDRALDH1A1KMT2AMEN1HPGD
SCHEMBL1788060 0.78 RAB9A (0.53) PKMALDH1A1POLBTDP1KMT2A
SCHEMBL4017457 0.78 KDR (0.69) PKMKDRHSD17B10ALDH1A1POLB
SCHEMBL1496331 0.78 PKM (0.56) PKMKDRHSD17B10ALDH1A1POLB
SCHEMBL1942084 0.76 PKM (0.54) PKMKDRHSD17B10ALDH1A1POLB

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 12 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 claimed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US claimed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US claimed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US claimed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US claimed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
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 PKM 3158/4885KDR 2531/4885HSD17B10 1387/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 PKM 3618/4885KDR 4/4885HSD17B10 489/4885

“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.