SCHEMBL4018157

SCHEMBL4018157

O=C(Sc1ncccc1C(=O)Nc1ccc2cn[nH]c2c1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
KDR P35968 1/20 0.52
MAP4K4 O95819 1/20 0.49
CLK2 P49760 1/20 0.49
DYRK1A Q13627 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CFTR P13569 1/20 0.48
JAK2 O60674 2/20 0.47
JAK1 P23458 1/20 0.47
FLT1 P17948 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOB P27338 3/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL4018536 0.83 KDR (0.64) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL4019643 0.79 KMT2A (0.55) NPC1RAB9ASMN1; SMN2KDRKMT2A
SCHEMBL4017153 0.78 KDR (0.67) NPC1SMN1; SMN2KDRJAK2JAK1
SCHEMBL4021302 0.77 KMT2A (0.55) SMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL4023720 0.77 KMT2A (0.57) NPC1SMN1; SMN2KDRKMT2AKDM4E
SCHEMBL4018463 0.77 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL4016790 0.77 KMT2A (0.52) RAB9ASMN1; SMN2KDRKMT2AKDM4E
SCHEMBL4019283 0.76 KDR (0.64) NPC1RAB9AKDRMAP4K4CLK2
SCHEMBL4018153 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL4017986 0.75 KMT2A (0.58) NPC1RAB9AKDRKMT2ATRPV1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 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-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 NPC1 1632/4885RAB9A 1196/4885SMN1; SMN2 4686/4885
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent FLT1, FLT4, PYM1 NPC1 1627/4885RAB9A 2026/4885SMN1; SMN2 3986/4885
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT FLT1, PYM1, FLT4 NPC1 1791/4885RAB9A 1301/4885SMN1; SMN2 3840/4885

“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.