SCHEMBL2748920

SCHEMBL2748920

O=S(=O)(Oc1ncc2ccccc2c1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TRPM8 Q7Z2W7 4/20 0.32
CYP17A1 P05093 2/20 0.32
ALPL P05186 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2748882 0.84 TRPM8 (0.39) TRPM8
SCHEMBL19643623 0.79 PDE4A (0.34) PDE4APDE4CPDE4DHPGDADORA2A
SCHEMBL6638222 0.76 TRPA1 (0.43) KDM4EPDE4APDE4CPDE4DPTGS2
SCHEMBL29937434 0.76 TRPA1 (0.43) KDM4EPDE4APDE4CPDE4DPTGS2
SCHEMBL28911793 0.74 PDE4A (0.40) KDM4EGPR3PDE4APDE4CPDE4D
SCHEMBL31135307 0.74 PDE4A (0.40) KDM4EGPR3PDE4APDE4CPDE4D
SCHEMBL29972435 0.74 PDE4A (0.40) KDM4EGPR3PDE4APDE4CPDE4D
SCHEMBL20563974 0.74 MAPT (0.37) KDM4ENPC1RAB9A
SCHEMBL30876213 0.73 ALDH1A1 (0.45) KDM4EGPR3POLBHPGDCYP17A1
SCHEMBL1173555 0.72 RAB9A (0.40) GPR3POLBHPGDADORA2AADORA1

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-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 KDM4E 1371/4885GPR3 2089/4885PDE4A 2821/4885

“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.