SCHEMBL4017944

SCHEMBL4017944

CC(C)Oc1ccc(NC(=O)c2cccnc2SCc2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.72
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 4/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
NAMPT P43490 1/20 0.52
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PNLIP P16233 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 2/20 0.47
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL4022571 0.91 KDR (0.70) KDRKMT2AALDH1A1TP53MAPK1
SCHEMBL4019855 0.90 KDR (0.63) KDRKMT2AALDH1A1TP53LMNA
SCHEMBL4017009 0.89 KDR (0.74) KDRKMT2AALDH1A1MAPK1LMNA
SCHEMBL4023029 0.87 KDR (0.78) KDRKMT2AALDH1A1TP53PKM
SCHEMBL4023378 0.87 KDR (0.84) KDRKMT2AALDH1A1TP53PKM
SCHEMBL4015789 0.87 KDR (0.70) KDRKMT2AALDH1A1MAPK1LMNA
SCHEMBL4023036 0.87 KDR (0.70) KDRKMT2AALDH1A1MAPK1LMNA
SCHEMBL4016903 0.86 KDR (0.73) KDRKMT2AALDH1A1MAPK1PKM
SCHEMBL4016715 0.86 KDR (0.79) KDRKMT2AALDH1A1TP53LMNA
SCHEMBL4019854 0.86 KDR (0.79) KDRKMT2AALDH1A1TP53PKM

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602647-B1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP claimed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US claimed
US-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US claimed
EP-1602647-A1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-12-07 EP claimed
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
EP-1602647-B1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP disclosed
EP-1602647-B1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1602647-A1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-12-07 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 (3 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-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent FLT4, FLT1, KDR KDR 3/4885KMT2A 3529/4885ALDH1A1 1161/4885
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent FLT1, FLT4, PYM1 KDR 5/4885KMT2A 3586/4885ALDH1A1 2180/4885
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT FLT1, PYM1, FLT4 KDR 6/4885KMT2A 3325/4885ALDH1A1 1901/4885

“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.