SCHEMBL3107750

SCHEMBL3107750

COc1ccc(F)c(F)c1COc1cc(N)c(Cl)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
GNRHR P30968 1/20 0.32
CACNA1C Q13936 1/20 0.32
EGFR P00533 2/20 0.32
MAPT P10636 1/20 0.31
ADRB2 P07550 1/20 0.31
FYN P06241 1/20 0.31
KDR P35968 2/20 0.30
ANO1 Q5XXA6 1/20 0.30
AURKA O14965 1/20 0.30
ERBB2 P04626 1/20 0.30
INSR P06213 1/20 0.30
FBP1 P09467 1/20 0.30
PDGFRB P09619 1/20 0.30
FLT4 P35916 1/20 0.30
CLK1 P49759 1/20 0.30
EPHB4 P54760 1/20 0.30

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
SCHEMBL10300247 0.87 EGFR (0.36) NPC1GNRHREGFRMAPTKDR
SCHEMBL10300232 0.86 EGFR (0.36) NPC1EGFRMAPTKDRERBB2
SCHEMBL3109749 0.84 LMNA (0.40) NPC1MEN1KMT2APKMGNRHR
SCHEMBL1744643 0.81 NPC1 (0.47) NPC1
SCHEMBL3100037 0.80 NPC1 (0.44) NPC1MEN1KMT2AGNRHRCACNA1C
SCHEMBL3094203 0.80 NPC1 (0.38) NPC1MEN1KMT2AGNRHRCACNA1C
Hydrochloric Acid SCHEMBL3094626 0.79 NPC1 (0.43) NPC1MEN1KMT2AGNRHRCACNA1C
SCHEMBL10300237 0.77 NPC1 (0.41) NPC1MEN1KMT2APKMGNRHR
SCHEMBL3106513 0.76 NPC1 (0.40) NPC1MEN1KMT2AGNRHRCACNA1C
SCHEMBL13577266 0.76 NPC1 (0.41) NPC1MEN1KMT2AGNRHRCACNA1C

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 NPC1 3052/4885MEN1 1726/4885KMT2A 2609/4885

“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.