SCHEMBL1785330

SCHEMBL1785330

CC(=O)N1CCN(c2nccc(CSc3ncccc3C(=O)Nc3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.55
LMNA P02545 4/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
PTPN11 Q06124 1/20 0.47
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
HTT P42858 1/20 0.42
ACHE P22303 1/20 0.42
MT-CO2 P00403 1/20 0.42
SMO Q99835 1/20 0.41

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
SCHEMBL1786445 0.89 KDR (0.57) KDRLMNAGAAMAPK1PTPN11
SCHEMBL1790457 0.88 PTPN11 (0.45) KDRLMNAPTPN11MAPTALDH1A1
SCHEMBL1791172 0.87 MAPT (0.51) KDRLMNAPTPN11MAPTALDH1A1
SCHEMBL1787272 0.82 KDR (0.45) KDRLMNAGAAMAPTRAB9A
SCHEMBL1784588 0.80 KDR (0.62) KDRLMNAMAPTALDH1A1KDM4E
SCHEMBL1787162 0.79 ALDH1A1 (0.46) KDRMAPTRAB9AALDH1A1KDM4E
SCHEMBL1788671 0.79 KDR (0.45) KDRLMNAMAPTRAB9AALDH1A1
SCHEMBL1786747 0.79 KDR (0.66) KDRLMNAMAPTRAB9AALDH1A1
SCHEMBL1789859 0.79 NPSR1 (0.49) KDRPTPN11MAPTALDH1A1KDM4E
SCHEMBL1786466 0.78 KDR (0.59) KDRLMNAMAPTRAB9AALDH1A1

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 7 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
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 KDR 2531/4885LMNA 4680/4885GAA 2418/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDR 4/4885LMNA 4831/4885GAA 3033/4885

“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.