SCHEMBL1734285

SCHEMBL1734285

COCc1ccc(-c2cn(Cc3ccc(Cc4ccc(Cl)o4)cc3)nn2)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 5/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NR1I3 Q14994 4/20 0.35
NR1I2 O75469 1/20 0.35
PTGS2 P35354 2/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
EPHB4 P54760 3/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1836728 0.96 HSP90AA1 (0.37) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL12459953 0.91 HSP90AA1 (0.39) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL1733319 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1NPC1RAB9ANR1I3
SCHEMBL7607001 0.78 TEK (0.41) HSP90AA1HSP90AB1NPC1RAB9ANR1I3
SCHEMBL1733715 0.77 L3MBTL1 (0.43) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL12460588 0.76 HSP90AA1 (0.41) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL512392 0.76 JAK2 (0.36) HSP90AB1MEN1KMT2ANPC1RAB9A
SCHEMBL1733767 0.71 PTGS2 (0.47) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL12460535 0.69 NPC1 (0.40) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL1733783 0.69 KDR (0.47) MEN1KMT2ANPC1RAB9APTGS2

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 11 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
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 HSP90AA1 1811/4885HSP90AB1 1966/4885MEN1 1798/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 HSP90AA1 3014/4885HSP90AB1 2732/4885MEN1 990/4885

“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.