Sugi Predict

Sugi Predict / Compounds / SCHEMBL2017857

SCHEMBL2017857

SCHEMBL2017857

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ RAB9A P51151 5/20 0.37
▸ MTOR P42345 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SLC40A1 Q9NP59 3/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ KAT2B Q92831 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX12 P18054 3/20 0.36
▸ KIT P10721 2/20 0.36
▸ NCOA3 Q9Y6Q9 2/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ NCOA1 Q15788 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 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
SCHEMBL2017432 0.95 PIK3CD (0.42) PIK3CDL3MBTL1RAB9AMTORSIRT2
Trifluoroacetic Acid SCHEMBL2053153 0.95 PIK3CD (0.41) PIK3CDL3MBTL1RAB9AMTORSIRT2
SCHEMBL2014633 0.93 PIK3CD (0.46) PIK3CDL3MBTL1RAB9AMTORSIRT2
SCHEMBL2015060 0.93 MEN1 (0.42) PIK3CDL3MBTL1SLC40A1SMN1; SMN2ALOX12
Trifluoroacetic Acid SCHEMBL2054376 0.91 PIK3CD (0.41) PIK3CDL3MBTL1RAB9AMTORSIRT2
SCHEMBL2017420 0.90 PIK3CD (0.50) PIK3CDL3MBTL1SLC40A1SMN1; SMN2ALDH1A1
SCHEMBL2164038 0.90 PIK3CD (0.42) PIK3CDL3MBTL1RAB9ASLC40A1NPC1
SCHEMBL2016485 0.90 PIK3CD (0.41) PIK3CDL3MBTL1RAB9ANPC1ALOX12
Trifluoroacetic Acid SCHEMBL2163822 0.89 PIK3CD (0.43) PIK3CDL3MBTL1RAB9AMTORSIRT2
SCHEMBL2163344 0.89 PIK3CD (0.43) 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 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 13/4885L3MBTL1 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.