Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013780

SCHEMBL2013780

SCHEMBL2013780

COC1CCCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.42
▸ LRRK2 Q5S007 5/20 0.38
▸ KRAS P01116 1/20 0.37
▸ SOS1 Q07889 1/20 0.37
▸ MAP4K4 O95819 1/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ ACACB O00763 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ PIK3R2 O00459 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL2019569 0.95 PIK3CD (0.43) PIK3CDLRRK2KRASSOS1FFAR2
Trifluoroacetic Acid SCHEMBL2052617 0.93 PIK3CD (0.40) PIK3CDLRRK2KRASSOS1FFAR2
SCHEMBL2014219 0.91 PIK3CD (0.45) PIK3CDLRRK2KRASSOS1L3MBTL1
SCHEMBL2015748 0.89 PIK3CD (0.43) PIK3CDLRRK2L3MBTL1NPC1ALOX12
SCHEMBL2013947 0.89 PIK3CD (0.45) PIK3CDLRRK2L3MBTL1NPC1ALOX12
SCHEMBL2012980 0.89 PIK3CD (0.43) PIK3CDLRRK2L3MBTL1NPC1ALOX12
Trifluoroacetic Acid SCHEMBL2054046 0.89 PIK3CD (0.40) PIK3CDLRRK2KRASSOS1FFAR2
SCHEMBL12631373 0.88 PIK3CD (0.49) PIK3CDL3MBTL1NPC1ALOX12RAB9A
SCHEMBL2016495 0.87 PIK3CD (0.42) PIK3CDMAP4K4L3MBTL1NPC1ALOX12
SCHEMBL2164400 0.86 PIK3CD (0.47) PIK3CDLRRK2L3MBTL1NPC1ALOX12

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 6 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-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 13/4885LRRK2 293/4885KRAS 242/4885

“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.