Sugi Predict

Sugi Predict / Compounds / SCHEMBL2016495

SCHEMBL2016495

SCHEMBL2016495

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCCC(CO)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.42
▸ KHK P50053 1/20 0.38
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ALOX12 P18054 3/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ATR Q13535 1/20 0.33
▸ ATRIP Q8WXE1 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
Trifluoroacetic Acid SCHEMBL2013263 0.94 PIK3CD (0.40) PIK3CDKHKITGB2ICAM1ITGAL
SCHEMBL2018067 0.91 PIK3CD (0.44) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2012980 0.90 PIK3CD (0.43) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2015748 0.90 PIK3CD (0.43) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2013947 0.88 PIK3CD (0.45) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL12631373 0.87 PIK3CD (0.49) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2013780 0.87 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AMAP4K4
SCHEMBL2014973 0.87 PIK3CD (0.45) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2012187 0.86 PIK3CD (0.43) PIK3CDITGB2ICAM1ITGALL3MBTL1
SCHEMBL2164400 0.86 PIK3CD (0.47) PIK3CDL3MBTL1NPC1RAB9AALOX12

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 13/4885KHK 1643/4885ITGB2 2534/4885

“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.