Sugi Predict

Sugi Predict / Compounds / SCHEMBL2011933

SCHEMBL2011933

SCHEMBL2011933

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCC(NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.42
▸ SMO Q99835 10/20 0.41
▸ ATR Q13535 1/20 0.36
▸ ATRIP Q8WXE1 1/20 0.36
▸ CDC7 O00311 2/20 0.36
▸ DAPK3 O43293 2/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ MAP4K4 O95819 2/20 0.36
▸ PAK4 O96013 2/20 0.36
▸ PRKACA P17612 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ CLK2 P49760 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ PRKX P51817 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ MAP4K2 Q12851 2/20 0.36
▸ STK3 Q13188 2/20 0.36

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
SCHEMBL2014568 0.95 PIK3CD (0.42) PIK3CDSMOATRATRIPCDC7
Trifluoroacetic Acid SCHEMBL2163146 0.94 PIK3CD (0.40) PIK3CDSMOATRATRIPCDC7
Trifluoroacetic Acid SCHEMBL2053228 0.90 PIK3CD (0.39) PIK3CDSMOCNR1CNR2L3MBTL1
SCHEMBL2017049 0.88 PIK3CD (0.46) PIK3CDL3MBTL1NPC1ALOX12RAB9A
SCHEMBL2017133 0.88 PIK3CD (0.48) PIK3CDDYRK1AL3MBTL1NPC1ALOX12
SCHEMBL2016479 0.88 PIK3CD (0.42) PIK3CDSMOSTK3CNR1CNR2
SCHEMBL2017747 0.88 NPC1 (0.43) PIK3CDSMOSTK3L3MBTL1AKT1
SCHEMBL12470100 0.86 PIK3CD (0.45) PIK3CDL3MBTL1NPC1ALOX12RAB9A
SCHEMBL12468351 0.86 SMO (0.42) PIK3CDSMOSTK3PRCPL3MBTL1
SCHEMBL12631373 0.86 PIK3CD (0.49) PIK3CDL3MBTL1NPC1ALOX12RAB9A

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 8 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-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 13/4885SMO 3160/4885ATR 393/4885

“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.