SCHEMBL2017747

SCHEMBL2017747

CC(=O)NC1CCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
ALOX12 P18054 6/20 0.43
NCOA3 Q9Y6Q9 2/20 0.43
NCOA1 Q15788 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
PIK3CD O00329 2/20 0.42
LRRK2 Q5S007 2/20 0.41
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
SMO Q99835 1/20 0.40
KRAS P01116 1/20 0.38
SOS1 Q07889 1/20 0.38
BTK Q06187 2/20 0.37
HSP90AA1 P07900 2/20 0.36
POLB P06746 1/20 0.35
AKT1 P31749 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
SCHEMBL2016572 0.95 NPC1 (0.42) NPC1RAB9AALOX12NCOA3NCOA1
Trifluoroacetic Acid SCHEMBL2163932 0.95 PIK3CD (0.41) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL2016479 0.94 PIK3CD (0.42) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL12468351 0.92 SMO (0.42) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL2017049 0.90 PIK3CD (0.46) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL2165765 0.89 PIK3CD (0.42) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL2018204 0.89 PIK3CD (0.41) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL12469950 0.88 PIK3CD (0.41) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL2017133 0.88 PIK3CD (0.48) NPC1RAB9AALOX12NCOA3NCOA1
SCHEMBL2011933 0.88 PIK3CD (0.42) NPC1RAB9AALOX12NCOA3NCOA1

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 726/4885ALOX12 1789/4885

“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.