Sugi Predict

Sugi Predict / Compounds / SCHEMBL2164764

SCHEMBL2164764

SCHEMBL2164764

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(CC(=O)N(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ ALOX12 P18054 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ NCOA3 Q9Y6Q9 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TLR8 Q9NR97 3/20 0.34
▸ TLR7 Q9NYK1 3/20 0.34
▸ TLR9 Q9NR96 2/20 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 SCHEMBL2164656 0.95 PIK3CD (0.40) PIK3CDL3MBTL1RAB9ANPC1ALOX12
SCHEMBL2163344 0.89 PIK3CD (0.43) PIK3CDL3MBTL1RAB9ANPC1ALOX12
SCHEMBL2016663 0.87 KDM4E (0.44) PIK3CDL3MBTL1RAB9ANPC1ALOX12
SCHEMBL12631373 0.85 PIK3CD (0.49) PIK3CDL3MBTL1RAB9ANPC1ALOX12
Trifluoroacetic Acid SCHEMBL2164857 0.85 PIK3CD (0.42) PIK3CDL3MBTL1RAB9ANPC1ALOX12
SCHEMBL2163953 0.85 PIK3CD (0.43) PIK3CDL3MBTL1RAB9ANPC1ALOX12
SCHEMBL2163159 0.85 PIK3CD (0.43) PIK3CDL3MBTL1RAB9ANPC1ALOX12
Trifluoroacetic Acid SCHEMBL2040790 0.84 PIK3CD (0.41) PIK3CDL3MBTL1RAB9ANPC1ALOX12
SCHEMBL2017829 0.84 PIK3CD (0.43) PIK3CDL3MBTL1RAB9ANPC1ALOX12
SCHEMBL2015619 0.84 PIK3CD (0.42) PIK3CDL3MBTL1RAB9ANPC1ALOX12

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 claimed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US 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 13/4885L3MBTL1 2960/4885RAB9A 726/4885

“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.