SCHEMBL1940765

SCHEMBL1940765

O=C(CNCCO)NC(Sc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.50
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 6/20 0.41
FLT1 P17948 4/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NAMPT P43490 1/20 0.39
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1941600 0.95 KDR (0.49) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3935942 0.93 KDR (0.47) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1941133 0.91 MAPT (0.53) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1941256 0.91 MAPT (0.46) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1940711 0.91 MAPT (0.48) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3931741 0.91 MAPT (0.48) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1939946 0.91 MAPT (0.51) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1940877 0.90 KMT2A (0.42) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3928348 0.90 KDR (0.47) KDRMAPTKMT2AKDM4EL3MBTL1
SCHEMBL1943221 0.90 MAPT (0.49) KDRMAPTKMT2ACRHBPCRHR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP claimed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US claimed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US claimed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US 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 (1 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KDR 12/4885MAPT 4537/4885KMT2A 2966/4885

“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.