SCHEMBL1939656

SCHEMBL1939656

Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
PNLIP P16233 1/20 0.46
MALT1 Q9UDY8 1/20 0.44
LMNA P02545 1/20 0.43
MET P08581 1/20 0.42
MAPT P10636 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GRM4 Q14833 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
KIT P10721 1/20 0.40
BRAF P15056 1/20 0.40
NFKB1 P19838 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
SCHEMBL4018049 0.90 KDR (0.66) KDRPNLIPMALT1LMNAMAPT
SCHEMBL1941283 0.88 KDR (0.50) KDRPNLIPMALT1LMNAMAPT
SCHEMBL1940208 0.87 KDR (0.49) KDRPNLIPMALT1LMNAMAPT
SCHEMBL1940885 0.87 KDR (0.55) KDRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4015283 0.85 KDR (0.53) KDRPNLIPMALT1LMNAMAPT
SCHEMBL1942131 0.85 KDR (0.47) KDRPNLIPMALT1LMNAMAPT
SCHEMBL1942411 0.84 KDR (0.47) KDRPNLIPMALT1LMNAMAPT
SCHEMBL13844055 0.84 KDR (0.47) KDRPNLIPMALT1LMNAMAPT
SCHEMBL1941144 0.83 KDR (0.75) KDRLMNAMETMAPTNPC1
SCHEMBL1939653 0.82 KDR (0.59) KDRLMNAMAPTSMN1; SMN2HPGD

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 12/4885PNLIP 4798/4885MALT1 2942/4885

“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.