SCHEMBL1941869

SCHEMBL1941869

CC(C)(C)OC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDR P35968 3/20 0.46
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
CSF1R P07333 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL1347769 0.93 RXFP1 (0.50) RXFP1MEN1KMT2ALMNAMAPT
SCHEMBL1943134 0.89 KDR (0.52) RXFP1MEN1KMT2ALMNAMAPT
SCHEMBL1942982 0.89 RXFP1 (0.53) RXFP1MEN1KMT2ALMNAMAPT
SCHEMBL1941329 0.88 KDR (0.44) RXFP1MEN1KMT2ALMNAMAPT
SCHEMBL1940372 0.87 KDR (0.52) RXFP1KMT2ALMNAL3MBTL1KDR
SCHEMBL1941473 0.86 KDR (0.48) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL1941560 0.86 MEN1 (0.51) RXFP1MEN1KMT2ALMNAMAPT
SCHEMBL3926546 0.86 MEN1 (0.47) RXFP1MEN1KMT2ALMNAMAPT
SCHEMBL1941837 0.86 MAPT (0.51) RXFP1MEN1KMT2AMAPTHTT
SCHEMBL1942432 0.85 KDR (0.64) MEN1KMT2ALMNAMAPTALDH1A1

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 RXFP1 111/4885MEN1 3379/4885KMT2A 2966/4885

“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.