SCHEMBL666432

SCHEMBL666432

FC(F)(F)c1cc(-c2cc3ccnc(Cl)c3o2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 3/20 0.38
KDM1A O60341 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
NOTUM Q6P988 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL659990 0.84 TLR8 (0.43) S1PR1S1PR3KDM1ACYP1A2CYP1A1
SCHEMBL21698495 0.68 KDM4E (0.34) S1PR1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL1851175 0.68 GPR52 (0.46) CYP1A2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL1853510 0.67 PNMT (0.44) ALDH1A1MEN1KMT2AKMO
SCHEMBL4455134 0.67 KMO (0.44) S1PR1S1PR3KDM1ANOS3NOS2
SCHEMBL25074439 0.67 CYP1A2 (0.44) CYP1A2CYP1A1CYP1B1NOTUMNPC1
SCHEMBL24037326 0.66 NISCH (0.38) S1PR1S1PR3JAK2TYK2NPC1
SCHEMBL4413959 0.65 TLR8 (0.37) CYP1A2CYP1A1CYP1B1JAK2TYK2
SCHEMBL659828 0.65 TLR8 (0.33) JAK2TYK2NPC1ALDH1A1RAB9A
SCHEMBL30454599 0.65 TLR8 (0.37) CYP1A2CYP1A1CYP1B1JAK2TYK2

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 3 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

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 S1PR1 1438/4885S1PR3 2565/4885KDM1A 169/4885

“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.