SCHEMBL1057636

SCHEMBL1057636

Cc1n[nH]c(N)c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.66
CHEK1 O14757 1/20 0.66
KMT2A Q03164 2/20 0.56
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GSK3A P49840 3/20 0.47
GSK3B P49841 3/20 0.47
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47
RPS6KA5 O75582 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL842957 0.84 SMN1; SMN2 (0.47) AKT2CHEK1KMT2ANFKB1NFKB2
SCHEMBL1248139 0.81 IKBKB (0.59) AKT2CHEK1KMT2AMAPK1NPSR1
SCHEMBL13310491 0.81 IKBKB (0.59) AKT2CHEK1KMT2AMAPK1GSK3B
SCHEMBL758310 0.81 MAPK14 (0.45) AKT2CHEK1KMT2AGSK3AGSK3B
SCHEMBL11437179 0.80 AKT2 (0.44) AKT2CHEK1KMT2ANFKB1NFKB2
SCHEMBL873114 0.79 AKT2 (1.00) AKT2CHEK1KMT2AMAPK1NPSR1
SCHEMBL10166769 0.79 MAPK1 (0.68) AKT2CHEK1KMT2ANFKB1NFKB2
SCHEMBL19256221 0.78 AKT2 (0.58) AKT2CHEK1KMT2ANFKB1NFKB2
SCHEMBL13516427 0.78 MAPT (0.50) KMT2AMAPK1DYRK1AMAPTSMN1; SMN2
SCHEMBL27926884 0.78 AKT2 (0.46) AKT2CHEK1KMT2ANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100343338-C Yellow anionic disazo dyes CIBA SC HOLDING AG (CH) 2007-10-17 CN claimed
CN-1659239-A Yellow anionic disazo dyes CIBA SC HOLDING AG (CH) 2005-08-24 CN claimed
WO-2003064384-A2 ENVIRONMENT FRIENDLY REAGENTS AND PROCESS FOR TRIFLUOROMETHYLSULFINYLATION OF ORGANIC COMPOUNDS VIRBAC S.A. (FR) 2003-08-07 WO claimed
US-20230124492-A1 COMPOSITIONS AND METHODS FOR SUBSTITUTED 7-(PIPERAZIN-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE ANALOGS AS INHIBITORS OF KRAS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-04-20 US disclosed
CN-115666563-A Compositions and methods of substituted 7- (piperazin-1-yl) pyrazolo [1,5-a ] pyrimidine analogs as KRAS inhibitors 得克萨斯系统大学评议会 2023-01-31 CN disclosed
EP-4072548-A1 COMPOSITIONS AND METHODS FOR SUBSTITUTED 7-(PIPERAZIN-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE ANALOGS AS INHIBITORS OF KRAS The Board of Regents of The University of Texas System (US) 2022-10-19 EP disclosed
WO-2021119343-A1 COMPOSITIONS AND METHODS FOR SUBSTITUTED 7-(PIPERAZIN-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE ANALOGS AS INHIBITORS OF KRAS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-17 WO disclosed
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 US disclosed
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO disclosed
EP-0572450-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS. BASF AG (DE) 1993-12-08 EP disclosed
EP-0169813-A2 Photographic recording material for the silver dye-bleaching process CIBA-GEIGY AG (CH) 1986-01-29 EP disclosed
EP-0101664-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-29 EP disclosed
EP-0101408-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed
EP-0082117-A1 Chromium complexes of polyazo dyestuffs CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0056475-A2 Pharmaceutical compositions MERCK PATENT GmbH (DE) 1982-07-28 EP disclosed
US-4113718-A Basic azo dyes CIBA-GEIGY CORPORATION (US) 1978-09-12 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US 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 (3 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-20230124492-A1 COMPOSITIONS AND METHODS FOR SUBSTITUTED 7-(PIPERAZIN-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE ANALOGS AS INHIBITORS OF KRAS KRAS, NRAS, TP53 AKT2 74/4885CHEK1 48/4885KMT2A 3205/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 AKT2 405/4885CHEK1 294/4885KMT2A 3661/4885
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ADRM1, LRRK2 AKT2 413/4885CHEK1 657/4885KMT2A 2432/4885

“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.