SCHEMBL1940949

SCHEMBL1940949

CC(=O)Nc1cc(CSc2ccccc2C(=O)Nc2cc3ccccc3cn2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
KDR P35968 1/20 0.47
GSK3B P49841 3/20 0.45
GSK3A P49840 2/20 0.45
AURKA O14965 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KIT P10721 1/20 0.43
BRAF P15056 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTOR P42345 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41
WNT3A P56704 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
SCHEMBL1941002 0.88 KDR (0.48) KMT2AMEN1KDRGSK3BGSK3A
SCHEMBL1941006 0.87 CCR2 (0.52) KMT2AMEN1KDRGSK3BL3MBTL1
Hydrochloric Acid SCHEMBL1943034 0.87 KMT2A (0.52) KMT2AMEN1KDRGSK3BL3MBTL1
SCHEMBL4024517 0.86 KDR (0.62) KMT2AMEN1KDRGSK3BL3MBTL1
SCHEMBL3935955 0.85 NPSR1 (0.43) GSK3BGSK3AAURKAL3MBTL1NPC1
SCHEMBL1940551 0.84 KDR (0.69) KMT2AMEN1KDRGSK3BGSK3A
SCHEMBL1942084 0.83 PKM (0.54) KMT2AMEN1KDRGSK3BGSK3A
SCHEMBL1941445 0.81 KMT2A (0.49) KMT2AMEN1KDRGSK3BGSK3A
SCHEMBL1942184 0.80 KDR (0.48) KMT2AMEN1KDRL3MBTL1NPC1
SCHEMBL1940292 0.80 KDR (0.53) KMT2AMEN1KDRGSK3BGSK3A

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 KMT2A 2966/4885MEN1 3379/4885KDR 12/4885

“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.