SCHEMBL2749092

SCHEMBL2749092

Cc1nc(OS(=O)(=O)C(F)(F)F)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
CYP2A6 P11509 1/20 0.38
GPR3 P46089 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34

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
SCHEMBL28571985 0.81 PDPK1 (0.35) PDE4APDE4CPDE4DGPR3ADORA2A
SCHEMBL14927093 0.81 PDE4A (0.37) PDE4APDE4CPDE4DCA1CA2
SCHEMBL8502299 0.79 L3MBTL1 (0.50) PDE4APDE4CPDE4DKMT2ABACE1
SCHEMBL30993298 0.78 PDE4A (0.48) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL129818 0.78 PDE4A (0.34) PDE4APDE4CPDE4DKMT2AHSD11B1
SCHEMBL28911790 0.77 PDE4A (0.42) PDE4APDE4CPDE4DCYP2A6ADORA2A
SCHEMBL29972718 0.77 PDE4A (0.42) PDE4APDE4CPDE4DCYP2A6ADORA2A
SCHEMBL152920 0.77 KDM4E (0.42) PDE4APDE4CPDE4DKMT2AALDH1A1
SCHEMBL1173587 0.77 BACE1 (0.53) PDE4APDE4CPDE4DCA1CA2
SCHEMBL2748157 0.76 PDE4A (0.44) PDE4APDE4CPDE4DCYP2A6ADORA2A

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 PDE4A 2821/4885PDE4C 3015/4885PDE4D 2968/4885

“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.