SCHEMBL16039645

SCHEMBL16039645

CON(C)C(=O)c1nc2ccnc(C)n2c1-c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
CENPE Q02224 6/20 0.33
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
GRM5 P41594 2/20 0.32
GRIN2B Q13224 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2247556 0.83 TRPM8 (0.43) TRPM8CENPEPDE4APDE4BPDE4C
SCHEMBL16038244 0.79 TRPM8 (0.46) TRPM8CENPEPDE4APDE4BPDE4C
SCHEMBL16039908 0.78 HCRTR1 (0.34) TRPM8HCRTR1HCRTR2CLK1DYRK1A
SCHEMBL2012809 0.73 TRPM8 (0.48) TRPM8CENPEPDE4APDE4BPDE4C
SCHEMBL2017114 0.70 KDM4E (0.41) TRPM8CLK1CLK2DYRK1AKDM4E
SCHEMBL16039095 0.70 TRPM8 (0.47) TRPM8PDE4APDE4BPDE4CPDE4D
SCHEMBL1325425 0.69 GRIN2B (0.36) TRPM8GRIN2B
SCHEMBL2036111 0.67 TRPM8 (0.49) TRPM8PDE4APDE4BPDE4CPDE4D
SCHEMBL2015181 0.65 TRPM8 (0.47) TRPM8PDE4APDE4BPDE4CPDE4D
SCHEMBL2041772 0.65 GRM5 (0.41) TRPM8CENPEPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 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-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 TRPM8 4728/4885CENPE 4486/4885PDE4A 1543/4885

“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.