SCHEMBL1940906

SCHEMBL1940906

CC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TRPV1 Q8NER1 4/20 0.46
SCN9A Q15858 1/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.44
KIT P10721 1/20 0.43
BRAF P15056 1/20 0.43
MAPK14 Q16539 2/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 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
SCHEMBL1940018 0.92 KDR (0.56) KDRCRHBPCRHR2LMNACYP3A4
SCHEMBL1942747 0.91 KDR (0.56) KDRLMNACYP2C9TRPV1KMT2A
SCHEMBL1941874 0.91 KDR (0.53) KDRLMNACYP2C9TRPV1KMT2A
SCHEMBL3932884 0.90 KDR (0.55) KDRLMNATRPV1KMT2AMAPT
SCHEMBL3927557 0.89 KDR (0.50) KDRCRHBPCRHR2LMNATRPV1
SCHEMBL1940372 0.89 KDR (0.52) KDRLMNATRPV1SCN9AKMT2A
SCHEMBL1940525 0.89 KDR (0.71) KDRCRHBPCRHR2LMNACYP3A4
SCHEMBL1940292 0.88 KDR (0.53) KDRTRPV1SCN9AKMT2AMAPT
SCHEMBL1939568 0.88 KDR (0.56) KDRCRHBPCRHR2LMNACYP3A4
SCHEMBL1940864 0.87 KDR (0.57) KDRLMNACYP2C9TRPV1KMT2A

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 12/4885CRHBP 2593/4885CRHR2 326/4885

“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.