SCHEMBL1733908

SCHEMBL1733908

Nc1ccc(-c2nnn(Cc3ccc(OCc4ccccn4)cc3)n2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HDAC6 Q9UBN7 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 2/20 0.39
PDE10A Q9Y233 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 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
SCHEMBL7607016 0.89 PARP10 (0.44) PARP10RAB9ANPC1L3MBTL1HDAC6
SCHEMBL1733402 0.88 MAOB (0.53) RAB9ANPC1L3MBTL1SMN1; SMN2MAOB
SCHEMBL12369978 0.84 HDAC6 (0.41) RAB9ANPC1L3MBTL1HDAC6SMN1; SMN2
SCHEMBL1733654 0.78 MAOB (0.54) RAB9ANPC1L3MBTL1SMN1; SMN2MAOB
SCHEMBL1106890 0.78 BTK (0.42) PARP10L3MBTL1SMN1; SMN2CYP19A1PDE10A
SCHEMBL1733700 0.78 MAOB (0.47) RAB9ANPC1L3MBTL1HDAC6MAOB
SCHEMBL1733720 0.77 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2MAOB
SCHEMBL13823050 0.74 NPC1 (0.39) PARP10RAB9ANPC1L3MBTL1HDAC6
SCHEMBL1732396 0.73 L3MBTL1 (0.48) RAB9ANPC1L3MBTL1HDAC6SMN1; SMN2
SCHEMBL1733612 0.73 L3MBTL1 (0.45) RAB9ANPC1L3MBTL1HDAC6SMN1; SMN2

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
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 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-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 PARP10 2031/4885RAB9A 1677/4885NPC1 210/4885

“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.