SCHEMBL863898

SCHEMBL863898

CCN(CC)c1nc2c(Cl)cccc2cc1C(C)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GHSR Q92847 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
GPR139 Q6DWJ6 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CTSA P10619 2/20 0.34
KDM1A O60341 1/20 0.34
PIK3CD O00329 1/20 0.34
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NR4A2 P43354 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL5302 0.82 GPR139 (0.39) USP9XL3MBTL1NPC1RAB9AMAPT
SCHEMBL865361 0.79 PIK3CD (0.40) L3MBTL1NPC1RAB9ATRPM8PIK3CD
SCHEMBL864754 0.79 PIK3CD (0.38) USP9XL3MBTL1GPR139CTSAPIK3CD
SCHEMBL864953 0.78 GRM5 (0.38) L3MBTL1PIK3CD
SCHEMBL864285 0.76 MAT2A (0.39) USP9XL3MBTL1NPC1RAB9AGPR139
SCHEMBL3716004 0.75 GHSR (0.38) L3MBTL1GHSRTP53MAPTTRPM8
SCHEMBL863999 0.75 GPR139 (0.38) USP9XL3MBTL1NPC1RAB9AGPR139
SCHEMBL716164 0.74 AKT1 (0.40) L3MBTL1CTSAPIK3CDFABP4FABP5
SCHEMBL864320 0.74 KCNJ5 (0.42) GPR139CTSAPIK3CD
SCHEMBL863538 0.74 KCNJ5 (0.42) GPR139CTSAPIK3CD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 US 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA USP9X 2549/4885L3MBTL1 3865/4885NPC1 4714/4885

“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.