SCHEMBL1009220

SCHEMBL1009220

NCCC1CCN(C(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
ST14 Q9Y5Y6 3/20 0.44
F2 P00734 1/20 0.44
F10 P00742 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35

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
SCHEMBL8065249 0.85 ITGB3 (0.46) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL1710845 0.83 CHRM2 (0.49) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL1515538 0.83 AKR1C3 (0.42) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL3935701 0.83 NCF1 (0.48) CHRM2CHRM1CHRM3TPSAB1TPSD1
Hydrochloric Acid SCHEMBL7443666 0.82 CHRM2 (0.48) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL31510764 0.82 TPSAB1 (0.35) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL14814157 0.82 GNAI3 (0.44) TPSAB1TPSD1TPSG1GNAI3GNAO1
SCHEMBL3121330 0.82 TPSAB1 (0.41) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL6043115 0.82 CHRM2 (0.44) CHRM2CHRM1CHRM3PRSS1PRSS2
Hydrochloric Acid SCHEMBL30364479 0.81 NCF1 (0.46) CHRM2CHRM1CHRM3TPSAB1TPSD1

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
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2194058-B1 Pyrazolopyrimidines suitable for the treatment of cancer diseases MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
CN-1880317-A Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORP (US) 2006-12-20 CN disclosed
EP-1720882-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2006-11-15 EP disclosed
US-7119200-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2006-10-10 US disclosed
US-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-06-15 US disclosed
CN-1735614-A Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORP (US) 2006-02-15 CN disclosed
WO-2005077954-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-08-25 WO disclosed
EP-1537116-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-06-08 EP disclosed
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2004-10-21 US disclosed
WO-2004022561-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2004-03-18 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-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CHRM2 4733/4885CHRM1 4468/4885CHRM3 4603/4885
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDK5 CHRM2 4833/4885CHRM1 4742/4885CHRM3 4757/4885

“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.