SCHEMBL1786141

SCHEMBL1786141

Nc1nccc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
KDR P35968 3/20 0.50
DHODH Q02127 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABL1 P00519 6/20 0.42
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1784805 0.88 MAPT (0.61) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1786367 0.88 KMT2A (0.52) MAPTKMT2AKDRNPC1RAB9A
SCHEMBL1788662 0.85 KMT2A (0.53) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1786747 0.84 KDR (0.66) MAPTKMT2AKDRNPC1RAB9A
SCHEMBL1785328 0.84 MAPT (0.50) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1789259 0.84 KDR (0.49) KMT2AKDRTRPV1
SCHEMBL1940885 0.83 KDR (0.55) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1784847 0.83 MAPT (0.51) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL1788117 0.83 MAPT (0.53) MAPTKMT2ACRHBPCRHR2KDR
SCHEMBL4017143 0.82 KDR (0.70) MAPTKMT2ACRHBPCRHR2KDR

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 MAPT 4773/4885KMT2A 2247/4885CRHBP 2912/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 MAPT 4676/4885KMT2A 2098/4885CRHBP 3260/4885

“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.