SCHEMBL1733697

SCHEMBL1733697

Nc1ccc(-c2cn(Cc3cccc(Oc4ccccc4)c3)nn2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD74 P04233 2/20 0.55
MIF P14174 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.49
FYN P06241 1/20 0.49
CYP19A1 P11511 1/20 0.49
GSK3B P49841 3/20 0.48
FLT3 P36888 1/20 0.48
GPR55 Q9Y2T6 1/20 0.47
KDR P35968 4/20 0.47
TEK Q02763 2/20 0.47
EPHB4 P54760 1/20 0.47
AURKA O14965 2/20 0.47
CHUK O15111 2/20 0.47
MAPK13 O15264 2/20 0.47
DAPK3 O43293 2/20 0.47
JAK2 O60674 2/20 0.47
ROCK2 O75116 2/20 0.47
CHEK2 O96017 2/20 0.47
PRKCG P05129 2/20 0.47
CDK1 P06493 2/20 0.47

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
SCHEMBL1732685 0.90 KDR (0.55) FYNCYP19A1GSK3BFLT3KDR
SCHEMBL1733903 0.81 CYP19A1 (0.56) CYP19A1GSK3BFLT3KDRTEK
SCHEMBL1734203 0.80 CD74 (0.47) CD74MIFL3MBTL1CYP19A1GSK3B
SCHEMBL19699896 0.79 CYP19A1 (0.70) CD74MIFCYP19A1GSK3BFLT3
SCHEMBL1734372 0.78 TUBB4A (0.49) CD74MIFL3MBTL1CYP19A1GSK3B
SCHEMBL30991876 0.75 CD74 (0.81) CD74MIFL3MBTL1CYP19A1GPR55
SCHEMBL29275461 0.75 CD74 (0.81) CD74MIFL3MBTL1CYP19A1GPR55
SCHEMBL13702605 0.74 TUBB4A (0.58) CD74MIFCYP19A1TUBB4ATUBB
SCHEMBL13819982 0.74 TUBB4A (0.57) CD74MIFL3MBTL1CYP19A1GPR55
SCHEMBL79086 0.72 HDAC3 (0.61) CD74MIFCYP19A1GSK3BFLT3

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 CD74 4228/4885MIF 4568/4885L3MBTL1 779/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 CD74 2377/4885MIF 3032/4885L3MBTL1 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.