SCHEMBL1029989

SCHEMBL1029989

Clc1cccc2c1OCC=N2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
AHR P35869 2/20 0.34
NOTUM Q6P988 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL2635508 0.72 TRPA1 (0.39)
SCHEMBL30403098 0.70 CA2 (0.36)
SCHEMBL1649469 0.70 TRPA1 (0.50)
SCHEMBL17260623 0.69 ACHE (0.36) ADRA2AADRA2BADRA2CADRA1ACYP1A2
SCHEMBL224636 0.67 TRPA1 (0.42) CYP1A2
Ammonia Solution, Strong SCHEMBL28509301 0.65 TRPA1 (0.41) CYP1A2
Hydrochloric Acid SCHEMBL7159867 0.65 TRPA1 (0.41) CYP1A2
SCHEMBL30794527 0.65
SCHEMBL14829341 0.63 AHR (0.44) ADRA2AAHRNOTUMCYP1A2CYP2A6
SCHEMBL16430044 0.63 CA12 (0.31)

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
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 ADRA2A 1367/4885AHR 1866/4885NOTUM 1407/4885
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 ADRA2A 1367/4885AHR 1866/4885NOTUM 1407/4885

“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.