Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013775

SCHEMBL2013775

SCHEMBL2013775

CCC(=O)N[C@H]1CCN(c2c(C(C)N)cc(Cl)c3cccnc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 13/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ KDM4E B2RXH2 9/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSP90AA1 P07900 2/20 0.42
▸ NCOA3 Q9Y6Q9 2/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ MTNR1A P48039 3/20 0.39
▸ MTNR1B P49286 3/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL2013325 0.90 NPC1 (0.50) ALOX12NPC1RAB9AL3MBTL1POLB
SCHEMBL2017712 0.89 NPC1 (0.43) ALOX12NPC1RAB9AL3MBTL1KDM4E
SCHEMBL2041986 0.89 NPC1 (0.43) ALOX12NPC1RAB9AL3MBTL1KDM4E
SCHEMBL12403650 0.89 SMO (0.46) ALOX12NPC1RAB9AL3MBTL1KDM4E
SCHEMBL2013778 0.85 NPC1 (0.44) ALOX12NPC1RAB9AL3MBTL1KDM4E
SCHEMBL2017265 0.85 NPC1 (0.48) ALOX12NPC1RAB9AL3MBTL1KDM4E
SCHEMBL2017031 0.85 NPC1 (0.48) ALOX12NPC1RAB9AL3MBTL1KDM4E
SCHEMBL2012925 0.84 NPC1 (0.52) ALOX12NPC1RAB9AL3MBTL1MEN1
SCHEMBL2014683 0.84 NPC1 (0.43) ALOX12NPC1RAB9AL3MBTL1KDM4E
SCHEMBL2164336 0.83 SMO (0.46) ALOX12NPC1RAB9AL3MBTL1NCOA3

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 ALOX12 1789/4885NPC1 3274/4885RAB9A 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.