SCHEMBL14050800

SCHEMBL14050800

CCc1cnn2c(N)cc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.47
▸ BTK Q06187 2/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ MAP4K4 O95819 2/20 0.45
▸ CKS1B P61024 1/20 0.45
▸ SKP1 P63208 1/20 0.45
▸ SKP2 Q13309 1/20 0.45
▸ AURKA O14965 3/20 0.44
▸ PDPK1 O15530 3/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ SUV39H2 Q9H5I1 9/20 0.43
▸ SYK P43405 1/20 0.42

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
SCHEMBL11930795 0.90 PDE10A (0.40) PDE10ABTKJAK3MAP4K4CKS1B
SCHEMBL14050863 0.88 SUV39H2 (0.49) PDE10ABTKJAK3MAP4K4CKS1B
SCHEMBL14413640 0.85 BTK (0.44) PDE10ABTKJAK3MAP4K4CKS1B
SCHEMBL16784467 0.84 BTK (0.47) PDE10ABTKMAP4K4CKS1BSKP1
SCHEMBL14050865 0.82 PDE10A (0.43) PDE10ABTKJAK3MAP4K4CKS1B
SCHEMBL14050870 0.81 BTK (0.47) PDE10ABTKJAK3MAP4K4CKS1B
SCHEMBL14051081 0.80 BTK (0.49) PDE10ABTKJAK3MAP4K4CKS1B
SCHEMBL18122686 0.80 JAK3 (0.47) PDE10ABTKJAK3MAP4K4AURKA
SCHEMBL14051009 0.80 AURKA (0.41) PDE10ABTKJAK3MAP4K4CKS1B
SCHEMBL14413696 0.80 MAP4K4 (0.47) PDE10ABTKJAK3MAP4K4CKS1B

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
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 — — 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-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
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — 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 (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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 PDE10A 1523/4885BTK 575/4885JAK3 296/4885

“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.

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