SCHEMBL9999291

SCHEMBL9999291

CC(N)c1c(C#N)c2ccccc2n1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.41
PIK3R1 P27986 9/20 0.41
PIK3CG P48736 5/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 4/20 0.41
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP11B2 P19099 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
SCHEMBL9987045 0.86 KDM4E (0.39) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL12073544 0.82 ADORA3 (0.38) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL9987624 0.82 NOTUM (0.37) ADORA2A
SCHEMBL9986419 0.81 METAP2 (0.35) PIK3CDADORA2A
SCHEMBL9986663 0.81 VCP (0.36) ADORA2A
SCHEMBL9987042 0.80 TSHR (0.40) EGFRSRCCYP11B2
SCHEMBL9999444 0.76 PIK3CD (0.51) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL9986322 0.76 ALDH1A1 (0.40) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL9987521 0.74 CCR2 (0.46)
SCHEMBL9986551 0.73 ALDH1A1 (0.46)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 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-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 8/4885PIK3R1 4/4885PIK3CG 12/4885

“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.