SCHEMBL1349906

SCHEMBL1349906

NCc1ccc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
KDM4E B2RXH2 4/20 0.50
CSNK2A1 P68400 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
TLR9 Q9NR96 1/20 0.47
NAMPT P43490 1/20 0.45
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.43
DPP4 P27487 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 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
Hydrochloric Acid SCHEMBL1353133 0.98 TAAR1 (0.52) TAAR1KDM4ECSNK2A1L3MBTL1LMNA
SCHEMBL14119243 0.84 TAAR1 (0.63) TAAR1KDM4EL3MBTL1LMNAGAA
SCHEMBL31070211 0.84 KDM4E (0.61) KDM4EL3MBTL1LMNAGAAKMT2A
SCHEMBL27671170 0.79 KDM4E (0.44) TAAR1KDM4ECSNK2A1L3MBTL1LMNA
SCHEMBL6305952 0.75 KDM4E (0.74) KDM4EL3MBTL1LMNAGAAKMT2A
SCHEMBL1352022 0.75 CYP2A6 (0.53) TAAR1KDM4EL3MBTL1LMNAGAA
SCHEMBL1352384 0.75 CYP2A6 (0.53) TAAR1KDM4EL3MBTL1LMNAGAA
SCHEMBL1351560 0.74 CSNK2A1 (0.43) TAAR1KDM4ECSNK2A1AKT1AKT2
SCHEMBL28231116 0.73 TAAR1 (0.52) TAAR1KDM4EGAAKMT2AATM
Hydrochloric Acid SCHEMBL1350716 0.73 CSNK2A1 (0.45) TAAR1CSNK2A1AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP claimed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US claimed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO claimed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG TAAR1 4847/4885KDM4E 1661/4885CSNK2A1 311/4885

“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.