SCHEMBL16038490

SCHEMBL16038490

CC(N)c1nc2ccncn2c1-c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
TP53 P04637 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIK3CD O00329 4/20 0.34
PIK3R1 P27986 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
FYN P06241 1/20 0.33
DPP4 P27487 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL2018019 0.82 PIK3CD (0.45) BACE1BACE2CYP3A4PIK3CDPIK3CA
SCHEMBL12629375 0.80 TRPA1 (0.44) CYP11B1CYP11B2PIK3CDPIK3R1PIK3CB
SCHEMBL2038092 0.74 PTGS2 (0.37) PIK3CD
Trifluoroacetic Acid SCHEMBL2043009 0.72 ATM (0.44) PIK3CDPIK3R1PIK3CBPIK3CGDPP4
SCHEMBL12197126 0.71 PIK3CD (0.60) CYP11B1CYP11B2PIK3CDPIK3R1PIK3CB
SCHEMBL2504442 0.70 PIK3CD (0.55) CYP11B1CYP11B2PIK3CDPIK3R1PIK3CB
SCHEMBL16039095 0.70 TRPM8 (0.47) PDE4BTP53TRPA1KDM4C
SCHEMBL2034647 0.70 NR1H3 (0.53) PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL2553878 0.69 PIK3CD (0.58) CYP11B1CYP11B2PIK3CDPIK3R1PIK3CB
SCHEMBL2507030 0.69 PIK3CD (0.58) CYP11B1CYP11B2PIK3CDPIK3R1PIK3CB

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 PDE4B 1686/4885TP53 680/4885CTSD 3316/4885

“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.