SCHEMBL1942136

SCHEMBL1942136

CC(C)(C)OC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc3ccccc3cn2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
KDR P35968 1/20 0.44
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
IGF1R P08069 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL1941006 0.90 CCR2 (0.52) CCR2KDRGSK3BDYRK1APKM
SCHEMBL1941002 0.87 KDR (0.48) KDRGSK3BPKML3MBTL1NPC1
SCHEMBL1942184 0.87 KDR (0.48) KDRPKML3MBTL1NPC1RAB9A
SCHEMBL1939757 0.86 KDR (0.41) CCR2KDRPKML3MBTL1NPC1
SCHEMBL1942432 0.85 KDR (0.64) CCR2KDRPKML3MBTL1NPC1
SCHEMBL1942025 0.85 KDR (0.48) KDRPKML3MBTL1NPC1RAB9A
SCHEMBL1940043 0.84 ALDH1A1 (0.54) CCR2KDRPKML3MBTL1NPC1
SCHEMBL1941473 0.84 KDR (0.48) CCR2KDRPKML3MBTL1NPC1
SCHEMBL1940372 0.83 KDR (0.52) CCR2KDRPKML3MBTL1LMNA
SCHEMBL1941185 0.83 KDR (0.46) CCR2KDRPKML3MBTL1ALDH1A1

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 CCR2 21/4885KDR 12/4885GSK3B 3529/4885

“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.