SCHEMBL1940183

SCHEMBL1940183

O=C(CN1CCC1)NC(Sc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
KCNA5 P22460 1/20 0.42
FLT1 P17948 4/20 0.40
ABL1 P00519 2/20 0.40
P2RY1 P47900 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 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
SCHEMBL1942113 0.98 KDR (0.49) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL1940830 0.93 KDR (0.47) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL1942972 0.93 KMT2A (0.53) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL1940335 0.93 KDR (0.47) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL1941759 0.93 KDR (0.47) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL3924396 0.93 KDR (0.47) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL1941580 0.92 KMT2A (0.48) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL3921094 0.89 KDR (0.46) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL3933632 0.88 MAPT (0.49) KDRKMT2AMAPTCRHBPCRHR2
SCHEMBL3926551 0.88 MAPT (0.48) KDRKMT2AMAPTCRHBPCRHR2

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 12/4885KMT2A 2966/4885MAPT 4537/4885

“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.