SCHEMBL659990

SCHEMBL659990

Nc1nccc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.43
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
IKBKB O14920 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KDM1A O60341 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ATR Q13535 1/20 0.34
ROCK1 Q13464 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TDO2 P48775 1/20 0.32
MAP3K7 O43318 1/20 0.32

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
SCHEMBL666432 0.84 S1PR1 (0.38) NOS3NOS2S1PR1S1PR3RAB9A
SCHEMBL659026 0.77 RAB9A (0.58) TLR8NOS3NOS2RAB9ANPC1
SCHEMBL658546 0.72 MAP3K7 (0.38) S1PR1S1PR3IKBKBKDM1ACYP1A1
SCHEMBL21698495 0.67 KDM4E (0.34) S1PR1RAB9ANPC1KDM4EALDH1A1
SCHEMBL21698501 0.67 MAOB (0.42) S1PR1S1PR3RAB9AKDM4EALDH1A1
SCHEMBL658395 0.66 TLR8 (0.54) TLR8NOS3NOS2RAB9ACYP1A2
SCHEMBL10217290 0.66 TLR8 (0.54) TLR8NOS3NOS2RAB9AROCK1
SCHEMBL8267507 0.66 TLR8 (0.58) TLR8NOS3NOS2RAB9AROCK1
SCHEMBL19066984 0.66 NOS3 (0.50) NOS3NOS2S1PR1S1PR3IKBKB
SCHEMBL9999465 0.64 NOS3 (0.52) NOS3NOS2ROCK1

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
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 TLR8 2644/4885NOS3 1415/4885NOS2 999/4885

“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.