SCHEMBL1786239

SCHEMBL1786239

Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC3CCC(O)CC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
HSD11B1 P28845 2/20 0.38
RET P07949 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
FLT3 P36888 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
GAS6 Q14393 2/20 0.37
LMNA P02545 1/20 0.37
AXL P30530 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL1787441 0.97 KDR (0.42) KDRHSD11B1LMNAKMT2AKDM4E
SCHEMBL1786545 0.85 KDR (0.45) KDRLMNAKMT2AKDM4ENPC1
SCHEMBL1785263 0.84 KMT2A (0.45) KDRLMNAKMT2AKDM4ENPC1
SCHEMBL1786466 0.83 KDR (0.59) KDRHSD11B1LMNAKMT2AKDM4E
SCHEMBL1788104 0.83 KDR (0.47) KDRLMNAKMT2AKDM4ENPC1
SCHEMBL1787746 0.81 KDR (0.43) KDRLMNAKMT2AKDM4ENPC1
SCHEMBL1788178 0.81 MEN1 (0.51) LMNAKMT2AKDM4EHTTTP53
SCHEMBL1786745 0.80 HTT (0.42) KDRHSD11B1MAPK8LMNAKMT2A
SCHEMBL1783816 0.80 KDR (0.46) KDRLMNAKMT2AKDM4ENPC1
SCHEMBL1940635 0.80 KDR (0.49) KDRHSD11B1LMNAKMT2AKDM4E

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 KDR 2531/4885HSD11B1 1071/4885RET 1788/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDR 4/4885HSD11B1 148/4885RET 1268/4885

“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.