SCHEMBL839447

SCHEMBL839447

Cc1ccc(NC(=O)[C@@H](O)CCN(C)C)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 6/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
HCRTR1 O43613 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL839205 0.82 TSHR (0.54) RAB9AMAPTNPC1KDM4EALDH1A1
SCHEMBL838394 0.81 RAB9A (0.60) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL838669 0.81 RAB9A (0.60) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL838343 0.81 RAB9A (0.53) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL838342 0.81 RAB9A (0.53) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL838393 0.80 RAB9A (0.51) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL838587 0.80 RAB9A (0.51) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL27819829 0.79 RAB9A (0.50) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL838748 0.78 RAB9A (0.55) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL839591 0.78 RAB9A (0.55) RAB9AMAPTNPC1PKMKDM4E

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-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 RAB9A 3239/4885MAPT 3944/4885NPC1 552/4885

“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.