SCHEMBL1733372

SCHEMBL1733372

Nc1ncccc1-c1cn(Cc2ccc(Oc3ccccc3)cc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEK Q02763 4/20 0.46
EPHB4 P54760 4/20 0.46
KDR P35968 3/20 0.46
CYP19A1 P11511 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CCNK O75909 2/20 0.45
CDK12 Q9NYV4 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KLKB1 P03952 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43
PTGS2 P35354 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL1734372 0.90 TUBB4A (0.49) KDRCYP19A1MEN1KMT2ACCNK
SCHEMBL1734185 0.89 CYP19A1 (0.51) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1805271 0.88 CCNK (0.56) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1816014 0.86 CCNK (0.47) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1734193 0.84 KLKB1 (0.47) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1808096 0.83 CCNK (0.47) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1813784 0.83 CYP19A1 (0.52) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1809892 0.83 MEN1 (0.45) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1816497 0.83 TEK (0.43) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1808527 0.83 NPC1 (0.53) TEKEPHB4KDRCYP19A1MEN1

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 TEK 4680/4885EPHB4 4609/4885KDR 4161/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 TEK 3571/4885EPHB4 4737/4885KDR 4284/4885

“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.