SCHEMBL1941872

SCHEMBL1941872

O=C(CO)NC(Sc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
KMT2A Q03164 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
PTGS1 P23219 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 8/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL1941558 0.92 RXFP1 (0.50) KDRKMT2APTGS1RXFP1
SCHEMBL1941875 0.92 KMT2A (0.49) KDRKMT2ATRPV1
SCHEMBL3924809 0.92 KDR (0.51) KDRKMT2AEGLN1JAK2JAK1
SCHEMBL3928348 0.89 KDR (0.47) KDRKMT2AEGLN1JAK2JAK1
SCHEMBL1940215 0.89 KDR (0.54) KDRKMT2ASMN1; SMN2TRPV1
SCHEMBL1941401 0.89 KDR (0.48) KDRKMT2AEGLN1JAK2JAK1
SCHEMBL1940229 0.89 KDR (0.59) KDRKMT2AJAK2TYK2SMN1; SMN2
SCHEMBL3924825 0.88 KDR (0.52) KDRKMT2AEGLN1JAK2JAK1
SCHEMBL1940973 0.86 KMT2A (0.45) KDRKMT2ASMN1; SMN2RXFP1
SCHEMBL1942036 0.85 KDR (0.45) KDRKMT2AEGLN1JAK2JAK1

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 5 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 claimed
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 claimed
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 claimed
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

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 2966/4885EGLN1 757/4885

“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.