Sugi Predict

Sugi Predict / Compounds / SCHEMBL2164175

SCHEMBL2164175

SCHEMBL2164175

CC(=O)N1CCC(C(=O)N2CCN(c3c(C(C)N)cc(Cl)c4cccnc34)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.44
▸ FNTB P49356 2/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ ALOX12 P18054 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NCOA3 Q9Y6Q9 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL2163664 0.94 ALDH1A1 (0.44) NPC1ALOX12RAB9AALDH1A1NCOA3
SCHEMBL2054274 0.92 IDE (0.45) NPC1ALOX12RAB9AALDH1A1NCOA3
SCHEMBL2164834 0.85 FNTA (0.47) FNTAFNTBNPC1ALOX12RAB9A
SCHEMBL2014599 0.83 FNTA (0.44) FNTAFNTBNPC1RAB9AALDH1A1
SCHEMBL2016097 0.83 PIK3CD (0.40) FNTAFNTBNPC1ALOX12RAB9A
SCHEMBL2017181 0.82 L3MBTL1 (0.44) NPC1ALOX12RAB9AALDH1A1NCOA3
SCHEMBL2016234 0.81 FNTA (0.44) FNTAFNTBNPC1RAB9AALDH1A1
SCHEMBL2163856 0.81 ALDH1A1 (0.49) NPC1ALOX12RAB9AALDH1A1NCOA3
SCHEMBL2163317 0.81 SMN1; SMN2 (0.44) NPC1ALOX12RAB9AALDH1A1NCOA3
SCHEMBL2163930 0.81 NPY2R (0.44) NPC1ALOX12RAB9AALDH1A1NCOA3

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 disclosed
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
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 FNTA 2643/4885FNTB 2976/4885NPC1 3274/4885

“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.