SCHEMBL2015661

SCHEMBL2015661

CC(N)c1ccc2ccccc2c1-c1cncc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP17A1 P05093 2/20 0.38
CYP3A4 P08684 1/20 0.38
TLR7 Q9NYK1 3/20 0.33
AHR P35869 1/20 0.33
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
DYRK1A Q13627 1/20 0.32
NQO2 P16083 1/20 0.32
ADORA2B P29275 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
BACE1 P56817 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
SCHEMBL2717825 0.85 TDP1 (0.37) GPR84
SCHEMBL2164773 0.82 CYP1A1 (0.41)
SCHEMBL2013339 0.81 PIK3CD (0.43) CYP3A4TLR7NQO2ADORA2B
SCHEMBL2016187 0.74 PIK3CD (0.48)
SCHEMBL2015662 0.74 CYP11B1 (0.38) CYP11B1CYP11B2CYP17A1CYP3A4TLR7
SCHEMBL2014040 0.73 PIK3CD (0.43)
SCHEMBL2015805 0.68 PIK3CD (0.43) CYP3A4
SCHEMBL20824746 0.67 PRKCZ (0.43) CYP11B1CYP11B2CYP3A4ADRA2AADRA2B
SCHEMBL28454494 0.67 PRKCZ (0.43) CYP11B1CYP11B2CYP3A4ADRA2AADRA2B
SCHEMBL30238657 0.67 PRKCZ (0.43) CYP11B1CYP11B2CYP3A4ADRA2AADRA2B

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 CYP11B1 478/4885CYP11B2 729/4885CYP17A1 132/4885

“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.