SCHEMBL1941111

SCHEMBL1941111

CCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 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
SCHEMBL1940350 0.92 KDR (0.51) KDRSMN1; SMN2TP53JAK2TYK2
SCHEMBL3928481 0.91 KDR (0.52) KDRSMN1; SMN2TP53PKML3MBTL1
SCHEMBL1941361 0.91 KDR (0.50) KDRSMN1; SMN2TP53JAK2TYK2
Hydrochloric Acid SCHEMBL3928385 0.91 KDR (0.49) KDRSMN1; SMN2TP53JAK2TYK2
SCHEMBL1943016 0.90 KDR (0.53) KDRSMN1; SMN2TP53PKML3MBTL1
SCHEMBL1939960 0.90 KDR (0.53) KDRSMN1; SMN2TP53PKML3MBTL1
SCHEMBL1941440 0.90 KDR (0.48) KDRSMN1; SMN2TP53PKML3MBTL1
SCHEMBL1941078 0.90 KDR (0.48) KDRSMN1; SMN2TP53PKML3MBTL1
SCHEMBL1940219 0.89 KDR (0.53) KDRSMN1; SMN2TP53PKML3MBTL1
SCHEMBL1941247 0.89 KDR (0.48) KDRSMN1; SMN2TP53PKML3MBTL1

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 8 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
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 claimed
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 12/4885SMN1; SMN2 4412/4885TP53 1624/4885

“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.