SCHEMBL2991637

SCHEMBL2991637

[NH]c1ccnc2ccnn12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
DGAT1 O75907 3/20 0.35
EGLN2 Q96KS0 1/20 0.32
MKNK1 Q9BUB5 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
SCHEMBL21138821 0.73 DGAT1 (0.42) PDE10ADGAT1EGLN2MKNK1
SCHEMBL30537 0.73 DGAT1 (0.42) PDE10ADGAT1EGLN2MKNK1
SCHEMBL9911039 0.72 DGAT1 (0.34) PDE10ADGAT1
SCHEMBL14158421 0.68 DYRK1A (0.40) PDE10ADGAT1
SCHEMBL20484514 0.68 DGAT1 (0.36) PDE10ADGAT1
SCHEMBL17781090 0.68 KDM4E (0.39) DGAT1EGLN2
SCHEMBL1236763 0.66 AKT1 (0.46) DGAT1EGLN2
SCHEMBL11165302 0.65 FYN (0.44) DGAT1EGLN2MKNK1
SCHEMBL31579411 0.65 IDO1 (0.46) DGAT1
SCHEMBL31579398 0.65 IDO1 (0.46) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051963-B1 PROCESS FOR RESOLVING CHIRAL PIPERIDINE ALCOHOL AND PROCESS FOR SYNTHESIS OF PYRAZOLO [1,5-A]PYRIMIDINE DERIVATIVES USING SAME SCHERING CORP (US) 2012-05-16 EP claimed
US-8076479-B2 useful as cyclin-dependent kinase inhibitor compounds; minimizes the need for chromatographic purification of intermediates, and utilizes fewer changes of solvent systems SCHERING CORPORATION (US) 2011-12-13 US claimed
US-7786306-B2 Process for resolving chiral piperidine alcohol and process for synthesis of pyrazolo[1,5-a] pyrimidine derivatives using same SCHERING CORPORATION (US) 2010-08-31 US claimed
EP-2057166-A2 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDRO- PYRAZOLOÝ1,5-A¨PYRIMIDIN-7-YL)-AMINO DERIVATIVES AND INTERMEDIATES SCHERING CORPORATION (US) 2009-05-13 EP claimed
EP-2051963-A1 PROCESS FOR RESOLVING CHIRAL PIPERIDINE ALCOHOL AND PROCESS FOR SYNTHESIS OF PYRAZOLO [1,5-A]PYRIMIDINE DERIVATIVES USING SAME SCHERING CORPORATION (US) 2009-04-29 EP claimed
WO-2008027220-A2 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3, 3A-DIHYDROPYRAZOL0 [1, 5-A] PYRIMIDIN-7-YL) -AMINO DERIVATIVES SCHERING CORPORATION (US) 2008-03-06 WO claimed
US-20080058518-A1 Process and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3,3a-dihydro-pyrazolo[1,5-a]pyrimidin-7-yl)-amino derivatives and intermediates MERCK SHARP & DOHME LLC 2008-03-06 US claimed
US-20080051579-A1 Process for resolving chiral piperidine alcohol and process for synthesis of pyrazolo[1,5-a] pyrimidine derivatives using same MERCK SHARP & DOHME LLC 2008-02-28 US claimed
WO-2008021509-A1 PROCESS FOR RESOLVING CHIRAL PIPERIDINE ALCOHOL AND PROCESS FOR SYNTHESIS OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES USING SAME SCHERING CORPORATION (US) 2008-02-21 WO claimed
EP-2051963-B1 PROCESS FOR RESOLVING CHIRAL PIPERIDINE ALCOHOL AND PROCESS FOR SYNTHESIS OF PYRAZOLO [1,5-A]PYRIMIDINE DERIVATIVES USING SAME SCHERING CORP (US) 2012-05-16 EP disclosed
US-7786306-B2 Process for resolving chiral piperidine alcohol and process for synthesis of pyrazolo[1,5-a] pyrimidine derivatives using same SCHERING CORPORATION (US) 2010-08-31 US disclosed
EP-2051963-A1 PROCESS FOR RESOLVING CHIRAL PIPERIDINE ALCOHOL AND PROCESS FOR SYNTHESIS OF PYRAZOLO [1,5-A]PYRIMIDINE DERIVATIVES USING SAME SCHERING CORPORATION (US) 2009-04-29 EP disclosed
US-20080051579-A1 Process for resolving chiral piperidine alcohol and process for synthesis of pyrazolo[1,5-a] pyrimidine derivatives using same MERCK SHARP & DOHME LLC 2008-02-28 US disclosed
WO-2008021509-A1 PROCESS FOR RESOLVING CHIRAL PIPERIDINE ALCOHOL AND PROCESS FOR SYNTHESIS OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES USING SAME SCHERING CORPORATION (US) 2008-02-21 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-20080051579-A1 Process for resolving chiral piperidine alcohol and process for synthesis of pyrazolo[1,5-a] pyrimidine derivatives using same ADH1C, ADH1A, ADH5 PDE10A 3020/4885DGAT1 612/4885EGLN2 3933/4885
US-20080058518-A1 Process and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3,3a-dihydro-pyrazolo[1,5-a]pyrimidin-7-yl)-amino derivatives and intermediates CDK3, CDK7, CDK2 PDE10A 2467/4885DGAT1 3448/4885EGLN2 1194/4885

“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.