SCHEMBL2017011

SCHEMBL2017011

CON(C)C(=O)c1ccc2cccnc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
EGLN1 Q9GZT9 7/20 0.39
ALDH1A1 P00352 1/20 0.39
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDR P35968 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHODH Q02127 1/20 0.35
NSD2 O96028 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL2718771 0.83 KDM4E (0.50) EGLN1ALDH1A1KDM4EKDRCASP3
SCHEMBL2015077 0.82 ALDH1A1 (0.39) TRPM8EGLN1ALDH1A1KDM4ELMNA
SCHEMBL2016020 0.82 ALDH1A1 (0.44) EGLN1ALDH1A1KDM4EKDRLMNA
SCHEMBL2017299 0.78 ALDH1A1 (0.60) EGLN1ALDH1A1
SCHEMBL643192 0.78 ALDH1A1 (0.46) EGLN1ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL15445451 0.77 ALDH1A1 (0.43) EGLN1ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL3922378 0.76 PARP1 (0.55) ALDH1A1KDM4EKDRLMNAL3MBTL1
SCHEMBL2014820 0.73 TRPM8 (0.44) TRPM8ALDH1A1KDM4ELMNADHODH
SCHEMBL781008 0.72 NAPRT (0.56) TRPM8ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL2013025 0.71 ALDH1A1 (0.40) EGLN1ALDH1A1KDM4ELMNAL3MBTL1

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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 TRPM8 4741/4885EGLN1 1920/4885ALDH1A1 3722/4885

“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.