SCHEMBL7607016

SCHEMBL7607016

Nc1ncccc1-c1nnn(Cc2ccc(OCc3ccccn3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 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
SCHEMBL1733654 0.89 MAOB (0.54) RAB9AL3MBTL1NPC1SMN1; SMN2MAOB
SCHEMBL1733908 0.89 PARP10 (0.41) PARP10RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL1733612 0.84 L3MBTL1 (0.45) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL1732396 0.84 L3MBTL1 (0.48) RAB9AL3MBTL1NPC1SMN1; SMN2MAOB
SCHEMBL1733064 0.83 RAB9A (0.59) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL1734119 0.79 MAOB (0.47) RAB9AL3MBTL1NPC1SMN1; SMN2MAOB
SCHEMBL4230828 0.78 CYP1A2 (0.43) PARP10SMN1; SMN2MAOBCYP19A1ALDH1A1
SCHEMBL510323 0.77 BTK (0.43) PARP10L3MBTL1SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL13823050 0.76 NPC1 (0.39) PARP10RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL1733402 0.75 MAOB (0.53) RAB9AL3MBTL1NPC1SMN1; SMN2MAOB

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 6 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-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
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

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 PARP10 4487/4885RAB9A 164/4885L3MBTL1 779/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 PARP10 2031/4885RAB9A 1677/4885L3MBTL1 2681/4885

“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.