Sugi Predict

Sugi Predict / Compounds / SCHEMBL2012928

SCHEMBL2012928

SCHEMBL2012928

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCC(C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.44
▸ BCL2 P10415 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ PIK3R2 O00459 1/20 0.33
▸ HSP90AA1 P07900 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ PSMD14 O00487 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
SCHEMBL2015209 0.95 PIK3CD (0.43) PIK3CDBCL2L3MBTL1LRRK2AXL
Trifluoroacetic Acid SCHEMBL2013472 0.93 PIK3CD (0.41) PIK3CDBCL2L3MBTL1LRRK2AXL
SCHEMBL2017133 0.90 PIK3CD (0.48) PIK3CDBCL2L3MBTL1NPC1RAB9A
SCHEMBL2017049 0.90 PIK3CD (0.46) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2016492 0.89 PIK3CD (0.40) PIK3CDBCL2L3MBTL1AXLMERTK
SCHEMBL12470100 0.89 PIK3CD (0.45) PIK3CDBCL2L3MBTL1NPC1RAB9A
SCHEMBL12631373 0.88 PIK3CD (0.49) PIK3CDBCL2L3MBTL1NPC1RAB9A
SCHEMBL2014219 0.88 PIK3CD (0.45) PIK3CDBCL2L3MBTL1LRRK2NPC1
SCHEMBL2013199 0.87 PIK3CD (0.44) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2018067 0.87 PIK3CD (0.44) PIK3CDL3MBTL1LRRK2NPC1RAB9A

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
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
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 1174/4885L3MBTL1 2960/4885

“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.