SCHEMBL9538834

SCHEMBL9538834

COc1nc(C)nc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
LMNA P02545 3/20 0.42
CYP2C19 P33261 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1A P35348 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL11916226 0.81 CYP2C19 (0.42) CYP1A2LMNACYP2C19HTR1AADRA2A
SCHEMBL11017179 0.78 CYP1A2 (0.80) CYP1A2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL8182248 0.77 LMNA (0.41) CYP1A2LMNACYP2C19HTR1AADRA2A
SCHEMBL16016862 0.77 LMNA (0.41) CYP1A2LMNACYP2C19HTR1AADRA2A
SCHEMBL12475927 0.77 LMNA (0.41) CYP1A2LMNACYP2C19HTR1AADRA2A
SCHEMBL376722 0.76 LMNA (0.39) CYP1A2LMNATDP1PDK2PDK4
SCHEMBL17302069 0.75 CYP1A2 (0.52) CYP1A2LMNACYP2C19HTR1AADRA2A
SCHEMBL8008714 0.74 CYP1A2 (0.52) CYP1A2TDP1SMN1; SMN2HIF1AGAA
SCHEMBL22119996 0.74 LMNA (0.39) CYP1A2LMNACYP2C19HTR1AADRA2A
SCHEMBL9534057 0.73 LMNA (0.35) CYP1A2LMNACYP2C19HTR1AADRA2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160033250-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-04 US claimed
US-11040922-B2 Hydrogen peroxide solvates of energetic materials THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-06-22 US disclosed
US-20190002361-A1 HYDROGEN PEROXIDE SOLVATES OF ENERGETIC MATERIALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-01-03 US disclosed
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
US-20160033250-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-04 US disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9096530-B2 Crystalline explosive material THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-08-04 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 US disclosed
US-20120305150-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-06 US disclosed
WO-2012089633-A9 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-08-23 WO disclosed
WO-2012109354-A2 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-16 WO disclosed
WO-2012089633-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-07-05 WO disclosed
EP-0343752-B1 Alkoxy-1,2,4-triazolo (1,5-c) pyrimidine-2-sulfonamides, process for their preparation and intermediates DOWELANCO (US) 1993-12-01 EP disclosed
US-5163995-A For use with grassy crops and soybeans DOWELANCO (US) 1992-11-17 US disclosed
US-5010195-A From 5-alkoxy-1,2,4-triazolo(1,5-c)pyrimidine THE DOW CHEMICAL COMPANY (US) 1991-04-23 US disclosed
WO-1989011782-A1 ALKOXY-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE-2-SULFONAMIDES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THE DOW CHEMICAL COMPANY (US) 1989-12-14 WO disclosed
EP-0343752-A1 Alkoxy-1,2,4-triazolo (1,5-c) pyrimidine-2-sulfonamides, process for their preparation and intermediates DowElanco (US) 1989-11-29 EP 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 CYP1A2 3887/4885LMNA 3108/4885CYP2C19 1624/4885

“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.