SCHEMBL1027348

SCHEMBL1027348

CCN(CC)Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 3/20 1.00
KDM4E B2RXH2 2/20 1.00
HSD17B10 Q99714 2/20 1.00
HPGD P15428 1/20 1.00
HTR1A P08908 2/20 0.71
HTR6 P50406 1/20 0.71
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
CYP2C19 P33261 1/20 0.69
LMNA P02545 3/20 0.66
HTT P42858 1/20 0.66
HTR2A P28223 3/20 0.65
MPO P05164 1/20 0.62
HRH3 Q9Y5N1 3/20 0.60
GAA P10253 1/20 0.59
AHR P35869 1/20 0.58

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
SCHEMBL9732946 0.89 KMT2A (0.79) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1132872 0.88 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL22619123 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12610324 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E
Diethyltryptamine SCHEMBL517713 0.83 HTR1A (1.00) ALDH1A1MEN1KMT2AMAPTKDM4E
Gramine SCHEMBL29351803 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTKDM4E
Gramine SCHEMBL63578 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTKDM4E
Diethyltryptamine SCHEMBL22462319 0.81 HTR1A (0.97) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14705330 0.81 HTR1A (0.83) ALDH1A1MEN1KMT2AMAPTKDM4E
Gramine SCHEMBL9058128 0.80 ALDH1A1 (0.96) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107174586-B Pharmaceutical composition with arundoin derivative as active ingredient and application thereof 中国科学院昆明植物研究所 2020-08-11 CN disclosed
CN-107174586-A Using giantreed alkali derivant as the pharmaceutical composition of active component and its application 中国科学院昆明植物研究所 2017-09-19 CN disclosed
US-8993565-B2 (6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives, preparation thereof and pharmaceutical use thereof as AKT(PKB) phosphorylation inhibitors SANOFI (FR) 2015-03-31 US disclosed
US-20140303156-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2014-10-09 US disclosed
US-8791255-B2 (6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives, preparation thereof and pharmaceutical use thereof as AKT(PKB) phosphorylation inhibitors SANOFI (FR) 2014-07-29 US disclosed
EP-2448927-B1 NOVEL (6-OXO-1, 6-DIHYDRO-PYRIMIDIN-2-YL)-AMIDE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2014-03-12 EP disclosed
US-20120270867-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-10-25 US disclosed
EP-2448927-A1 NOVEL (6-OXO-1, 6-DIHYDRO-PYRIMIDIN-2-YL)-AMIDE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001114-A1 NOVEL (6-OXO-1, 6-DIHYDRO-PYRIMIDIN-2-YL)-AMIDE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI-AVENTIS (FR) 2011-01-06 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 (2 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-20120270867-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS AKT1, AKT2, MTOR ALDH1A1 3870/4885MEN1 1962/4885KMT2A 1950/4885
US-20140303156-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS AKT1, AKT2, MTOR ALDH1A1 3870/4885MEN1 1962/4885KMT2A 1950/4885

“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.