SCHEMBL2016174

SCHEMBL2016174

CC(Nc1ncnc2[nH]cnc12)c1ccc2cccnc2c1-c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.54
DYRK1A Q13627 1/20 0.40
PIK3CG P48736 5/20 0.39
PIK3R2 O00459 2/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 2/20 0.39
TP53 P04637 2/20 0.36
P4HB P07237 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
EGFR P00533 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL2164852 0.92 PIK3CD (0.48) PIK3CDDYRK1APIK3CGPIK3R2PIK3CA
SCHEMBL2017399 0.85 PIK3CD (0.66) PIK3CDDYRK1APIK3CGPIK3CAPIK3CB
SCHEMBL2011285 0.83 PIK3CD (0.57) PIK3CDDYRK1APIK3CGPIK3R2EGFR
SCHEMBL2016212 0.83 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL2014810 0.81 PIK3CD (0.62) PIK3CDDYRK1APIK3CGPIK3CAPIK3CB
SCHEMBL2049583 0.79 PIK3CD (0.45) PIK3CDDYRK1APIK3CGPIK3R2PIK3CA
Trifluoroacetic Acid SCHEMBL2164086 0.78 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CB
Trifluoroacetic Acid SCHEMBL2163739 0.77 PIK3CD (0.51) PIK3CDDYRK1APIK3CGPIK3R2EGFR
SCHEMBL2017406 0.77 LMNA (0.39) PIK3CDDYRK1ATP53MAPTLMNA
Trifluoroacetic Acid SCHEMBL2166431 0.77 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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 11 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 claimed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO claimed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
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
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 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
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 PIK3CD 13/4885DYRK1A 646/4885PIK3CG 18/4885

“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.