SCHEMBL2174281

SCHEMBL2174281

Cc1cc(N(C)C(=O)OC(C)(C)C)no1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
USP30 Q70CQ3 3/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 1/20 0.35
PAX8 Q06710 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 1/20 0.33
S1PR3 Q99500 1/20 0.33
HTT P42858 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
SCHEMBL27780944 0.83 PKM (0.35) PKMCYP2C9CYP2C19NPSR1MAPT
SCHEMBL16245687 0.83 EGFR (0.39) PKMUSP30BRD4NPC1RAB9A
SCHEMBL10807240 0.79 NPC1 (0.48) NPSR1MAPTNPC1RAB9AGAA
SCHEMBL4102599 0.76 MAPT (0.41) PKMMAPTNPC1RAB9AGAA
SCHEMBL11644997 0.75 POLB (0.41) MAPTNPC1RAB9AGAAALDH1A1
SCHEMBL13028873 0.73 PAX8 (0.38) USP30BRD4PAX8
SCHEMBL20252572 0.73 SCN8A (0.34) CYP2C9CYP2C19NPSR1NPC1RAB9A
SCHEMBL19987474 0.72 RAB9A (0.39) CYP2C19MAPTNPC1RAB9AGAA
SCHEMBL11642349 0.72 MAPT (0.41) CYP2C19MAPTNPC1RAB9AGAA
SCHEMBL4110458 0.72 NPC1 (0.43) CYP2C19MAPTNPC1RAB9AGAA

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
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
CN-101437811-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 PKM 2887/4885USP30 3274/4885CYP2C9 2320/4885

“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.