SCHEMBL1735279

SCHEMBL1735279

Nc1ncccc1-c1nnn(Cc2cccc(Oc3ccccc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TRPV6 Q9H1D0 1/20 0.43
NPC1 O15118 2/20 0.43
GRM5 P41594 2/20 0.42
ROCK1 Q13464 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
AOC3 Q16853 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
BTK Q06187 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1732396 0.90 L3MBTL1 (0.48) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL1733064 0.86 RAB9A (0.59) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL1733654 0.81 MAOB (0.54) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL1733216 0.79 USP2 (0.36) RAB9AL3MBTL1ALDH1A1NPC1GRM5
SCHEMBL1734372 0.78 TUBB4A (0.49) L3MBTL1TRPV6ROCK1FAAHMGLL
SCHEMBL1733709 0.77 RAB9A (0.48) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL1733612 0.76 L3MBTL1 (0.45) RAB9AL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL510232 0.76 BTK (0.53) L3MBTL1TRPV6ROCK1BTK
SCHEMBL1734119 0.76 MAOB (0.47) RAB9AL3MBTL1NPC1GRM5SMN1; SMN2
SCHEMBL7607016 0.75 PARP10 (0.44) RAB9AL3MBTL1ALDH1A1NPC1SMN1; 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 12 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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 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 (2 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-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 RAB9A 164/4885L3MBTL1 779/4885ALDH1A1 4326/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 RAB9A 1677/4885L3MBTL1 2681/4885ALDH1A1 2165/4885

“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.