SCHEMBL1733352

SCHEMBL1733352

CCCCOCc1ccc(Cn2cc(-c3ccc(N)nc3N)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PTGS2 P35354 1/20 0.38
CYP19A1 P11511 3/20 0.37
EP300 Q09472 2/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL1733715 0.88 L3MBTL1 (0.43) L3MBTL1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL1733688 0.84 L3MBTL1 (0.47) L3MBTL1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL510764 0.81 CREBBP (0.38) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL1732704 0.81 L3MBTL1 (0.53) L3MBTL1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL1732404 0.80 CYP19A1 (0.50) NPC1RAB9AMEN1KMT2APTGS2
SCHEMBL1734193 0.78 KLKB1 (0.47) HSP90AA1HSP90AB1NPC1RAB9AMEN1
SCHEMBL12369679 0.76 RET (0.47) HSP90AA1HSP90AB1NPC1RAB9ACYP19A1
SCHEMBL12396045 0.75 RET (0.39) HSP90AA1HSP90AB1EP300CCNKCDK12
SCHEMBL12460588 0.72 HSP90AA1 (0.41) HSP90AA1HSP90AB1NPC1RAB9AATM
SCHEMBL1733319 0.71 HSP90AA1 (0.39) HSP90AA1HSP90AB1NPC1RAB9AATM

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
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

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 L3MBTL1 779/4885HSP90AA1 1811/4885HSP90AB1 1966/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 L3MBTL1 2681/4885HSP90AA1 3014/4885HSP90AB1 2732/4885

“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.