Sugi Predict

Sugi Predict / Compounds / SCHEMBL2010635

SCHEMBL2010635

SCHEMBL2010635

CC(O)c1cc(C#N)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.44
▸ BCL2 P10415 1/20 0.41
▸ MAP4K4 O95819 2/20 0.40
▸ CDC7 O00311 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ SLC40A1 Q9NP59 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 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
SCHEMBL2013331 0.89 PIK3CD (0.44) PIK3CDBCL2MAP4K4CDC7ROCK2
SCHEMBL12469976 0.86 PIK3CD (0.43) PIK3CDBCL2MAP4K4CDC7ROCK2
SCHEMBL15621512 0.86 PIK3CD (0.43) PIK3CDBCL2MAP4K4CDC7ROCK2
SCHEMBL12470338 0.84 PIK3CD (0.42) PIK3CDBCL2MAP4K4CDC7ROCK2
SCHEMBL15617714 0.83 PIK3CD (0.41) PIK3CDBCL2MAP4K4CDC7ROCK2
SCHEMBL12632908 0.83 PIK3CD (0.44) PIK3CDBCL2MAP4K4CDC7ROCK2
SCHEMBL2018303 0.83 PIK3CD (0.41) PIK3CDBCL2MAP4K4PDE4APDE4B
SCHEMBL2010638 0.78 MAP4K4 (0.40) PIK3CDMAP4K4CDC7ROCK2PIM1
SCHEMBL2016845 0.78 PIK3CD (0.62) PIK3CDBCL2MAP4K4AXLMERTK
SCHEMBL2013344 0.77 MAP4K4 (0.41) PIK3CDMAP4K4CDC7ROCK2PIM1

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 7 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-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

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 13/4885BCL2 1174/4885MAP4K4 914/4885

“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.