SCHEMBL12179556

SCHEMBL12179556

CON(C)C(=O)c1cc(F)cc2scnc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.36
CLK1 P49759 3/20 0.34
DYRK1A Q13627 2/20 0.34
DYRK1B Q9Y463 1/20 0.34
GPR119 Q8TDV5 5/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
CLK2 P49760 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
MLYCD O95822 1/20 0.31
PARP14 Q460N5 1/20 0.31
PKLR P30613 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
SCHEMBL2594448 0.80 NPC1 (0.38) DYRK1ADYRK1BPARP14PKLR
SCHEMBL2590659 0.78 NPC1 (0.37) DYRK1APARP14PKLR
SCHEMBL2592514 0.76 XDH (0.41)
SCHEMBL15140460 0.74 HCRTR1 (0.35) PARP14PKLR
SCHEMBL16468264 0.71 TRPM8 (0.38) TRPM8CLK1DYRK1ADYRK1BGPR119
SCHEMBL24014251 0.69 CES2 (0.43) TRPM8CLK1DYRK1ADYRK1BPIK3CA
SCHEMBL2594687 0.69 GPBAR1 (0.41) TRPM8CLK1DYRK1ADYRK1BPIK3CA
SCHEMBL31303588 0.69 GPBAR1 (0.37) TRPM8GPR119PIK3CAMTORMLYCD
SCHEMBL21228029 0.68 PDE2A (0.35)
SCHEMBL2472646 0.68 KEAP1 (0.54) TRPM8CLK1DYRK1ADYRK1BPIK3CA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 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-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 TRPM8 4427/4885CLK1 4736/4885DYRK1A 4819/4885

“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.