SCHEMBL1733903

SCHEMBL1733903

Nc1ccc(-c2cn(Cc3ccc(OCc4ccccc4)cc3)nn2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.56
KDR P35968 4/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TEK Q02763 3/20 0.50
EPHB4 P54760 2/20 0.50
PTGS2 P35354 2/20 0.49
GSK3B P49841 2/20 0.49
FLT3 P36888 1/20 0.49
CDC7 O00311 1/20 0.47
AURKA O14965 1/20 0.47
CHUK O15111 1/20 0.47
MAPK13 O15264 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 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 0.89 KDR (0.55) CYP19A1KDRNPC1RAB9AMEN1
SCHEMBL1733013 0.87 CYP19A1 (0.56) CYP19A1KDRNPC1RAB9AMEN1
SCHEMBL1808853 0.83 TEK (0.69) CYP19A1KDRNPC1RAB9AMEN1
SCHEMBL1732404 0.81 CYP19A1 (0.50) CYP19A1KDRNPC1RAB9AMEN1
SCHEMBL1733697 0.81 CD74 (0.55) CYP19A1KDRMEN1KMT2ATEK
SCHEMBL1732704 0.81 L3MBTL1 (0.53) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL1734185 0.78 CYP19A1 (0.51) CYP19A1KDRMEN1KMT2ATEK
SCHEMBL20590794 0.77 CYP19A1 (0.56) CYP19A1KDRNPC1RAB9AMEN1
SCHEMBL27984005 0.77 ESRRG (0.62) CYP19A1KDRNPC1RAB9AMEN1
SCHEMBL29926942 0.77 CYP19A1 (0.52) CYP19A1KDRNPC1RAB9AMEN1

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
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 CYP19A1 2876/4885KDR 4161/4885NPC1 2110/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 CYP19A1 1649/4885KDR 4284/4885NPC1 210/4885

“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.