SCHEMBL1940720

SCHEMBL1940720

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1SCc1ccnc(N2CCCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
MAPT P10636 3/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
GPR52 Q9Y2T5 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KLKB1 P03952 1/20 0.39
ABL1 P00519 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
P2RY1 P47900 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL1941724 0.84 KDR (0.48) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL1940343 0.83 MAPT (0.49) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL1940885 0.83 KDR (0.55) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL1941050 0.82 KDR (0.55) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL4016658 0.81 KDR (0.59) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL1941335 0.81 KDR (0.55) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL4018848 0.81 MAPT (0.57) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL1940185 0.80 KMT2A (0.49) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL1942115 0.80 KMT2A (0.49) KDRMAPTCRHBPKMT2ACRHR2
SCHEMBL4017143 0.80 KDR (0.70) KDRMAPTCRHBPKMT2ACRHR2

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 4 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 disclosed
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
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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 (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 4537/4885CRHBP 2593/4885

“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.