SCHEMBL3105182

SCHEMBL3105182

COc1cc(Cl)c(Nc2nc(Cl)ccc2N)cc1OCc1c(OC)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.39
ERBB2 P04626 2/20 0.39
EPHA2 P29317 2/20 0.39
EGFR P00533 12/20 0.37
SRC P12931 2/20 0.37
RIPK2 O43353 1/20 0.37
NOD1 Q9Y239 1/20 0.37
FLT1 P17948 4/20 0.37
FLT4 P35916 3/20 0.37
EPHB4 P54760 2/20 0.37
FGFR1 P11362 2/20 0.37
AURKA O14965 1/20 0.37
INSR P06213 1/20 0.37
FBP1 P09467 1/20 0.37
PDGFRB P09619 1/20 0.37
CLK1 P49759 1/20 0.37
TEK Q02763 1/20 0.37
AURKB Q96GD4 1/20 0.37
EPHB2 P29323 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL3115585 0.86 KDR (0.41) KDRERBB2EPHA2EGFRSRC
SCHEMBL3099887 0.84 FGFR4 (0.42) KDRERBB2EPHA2EGFRFGFR1
SCHEMBL3105339 0.80 KDR (0.43) KDRERBB2EPHA2EGFRSRC
SCHEMBL3114124 0.79 GNRHR (0.38) KDRERBB2EPHA2EGFRP2RX7
Hydrochloric Acid SCHEMBL3106550 0.79 EGFR (0.40) KDREGFR
SCHEMBL3100037 0.79 NPC1 (0.44) KDRERBB2EPHA2
Hydrochloric Acid SCHEMBL3094626 0.78 NPC1 (0.43) KDRERBB2EPHA2
SCHEMBL3102929 0.77 SYK (0.40) KDRERBB2EPHA2EGFR
SCHEMBL3107314 0.77 ADORA3 (0.38) KDRERBB2EPHA2EGFRP2RX7
SCHEMBL3110819 0.77 EGFR (0.41) KDRERBB2EPHA2EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 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 (1 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR KDR 2364/4885ERBB2 787/4885EPHA2 2592/4885

“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.