SCHEMBL2017299

SCHEMBL2017299

CON(C)C(=O)c1ccc2cccnc2c1O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
EGLN1 Q9GZT9 18/20 0.53
BCHE P06276 1/20 0.43

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
SCHEMBL643192 0.86 ALDH1A1 (0.46) ALDH1A1EGLN1
SCHEMBL3922378 0.84 PARP1 (0.55) ALDH1A1
SCHEMBL2143826 0.81 ALDH1A1 (0.60) ALDH1A1EGLN1
SCHEMBL27872555 0.80 ALDH1A1 (0.77) ALDH1A1EGLN1
SCHEMBL2143832 0.80 EGLN1 (0.60) ALDH1A1EGLN1
SCHEMBL244112 0.80 EGLN1 (0.68) ALDH1A1EGLN1
SCHEMBL2143852 0.80 ALDH1A1 (0.62) ALDH1A1EGLN1
SCHEMBL2143868 0.78 ALDH1A1 (0.57) ALDH1A1EGLN1BCHE
SCHEMBL2015077 0.78 ALDH1A1 (0.39) ALDH1A1EGLN1
SCHEMBL2017011 0.78 TRPM8 (0.41) ALDH1A1EGLN1

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 ALDH1A1 3722/4885EGLN1 1920/4885BCHE 4505/4885

“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.