SCHEMBL3924985

SCHEMBL3924985

O=C(Cn1ccnc1)NC(Sc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HPGD P15428 1/20 0.43
ABL1 P00519 3/20 0.43
FLT1 P17948 4/20 0.42
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AHR P35869 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 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
SCHEMBL3926472 0.92 KDR (0.49) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1941235 0.89 KDR (0.54) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1940215 0.88 KDR (0.54) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1942113 0.88 KDR (0.49) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1940183 0.88 KDR (0.49) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3926494 0.87 KDR (0.54) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1942109 0.87 KDR (0.54) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3933632 0.87 MAPT (0.49) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1941133 0.86 MAPT (0.53) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3936148 0.85 KDR (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4537/4885KMT2A 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.