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SCHEMBL2014683

SCHEMBL2014683

CCC(=O)N[C@H]1CCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ ALOX12 P18054 11/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ KDM4E B2RXH2 8/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ BTK Q06187 5/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ TEC P42680 1/20 0.35
▸ TXK P42681 1/20 0.35
▸ BMX P51813 1/20 0.35
▸ ITK Q08881 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL2053921 0.95 HRH4 (0.40) NPC1RAB9AL3MBTL1ALOX12PIK3CD
SCHEMBL2016572 0.92 NPC1 (0.42) NPC1RAB9AL3MBTL1ALOX12PIK3CD
SCHEMBL2165765 0.92 PIK3CD (0.42) NPC1RAB9AL3MBTL1ALOX12PIK3CD
SCHEMBL2018204 0.91 PIK3CD (0.41) NPC1RAB9AL3MBTL1ALOX12PIK3CD
SCHEMBL12469950 0.91 PIK3CD (0.41) NPC1RAB9AL3MBTL1ALOX12PIK3CD
Trifluoroacetic Acid SCHEMBL2015207 0.88 PIK3CD (0.40) NPC1RAB9AL3MBTL1ALOX12PIK3CD
SCHEMBL2016479 0.88 PIK3CD (0.42) NPC1RAB9AL3MBTL1ALOX12PIK3CD
SCHEMBL2017747 0.88 NPC1 (0.43) NPC1RAB9AL3MBTL1ALOX12PIK3CD
Trifluoroacetic Acid SCHEMBL2054000 0.87 PIK3CD (0.40) NPC1RAB9AL3MBTL1ALOX12PIK3CD
SCHEMBL12468351 0.86 SMO (0.42) NPC1RAB9AL3MBTL1ALOX12PIK3CD

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 NPC1 3274/4885RAB9A 726/4885L3MBTL1 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.