SCHEMBL14050870

SCHEMBL14050870

CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(N)n3ncc(-c4ccsc4)c3n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.47
▸ AURKA O14965 3/20 0.43
▸ PDPK1 O15530 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ SUV39H2 Q9H5I1 6/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ JAK3 P52333 1/20 0.40
▸ HDAC3 O15379 1/20 0.40

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
SCHEMBL16784467 0.86 BTK (0.47) BTKAURKAPDPK1AURKBCHEK1
SCHEMBL14050871 0.84 NPC1 (0.40) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL14050863 0.82 SUV39H2 (0.49) BTKAURKAPDPK1AURKBMAP4K4
SCHEMBL14050800 0.81 PDE10A (0.47) BTKAURKAPDPK1AURKBMAP4K4
SCHEMBL14413640 0.79 BTK (0.44) BTKAURKAPDPK1AURKBMAP4K4
SCHEMBL11930782 0.78 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1
SCHEMBL14051081 0.77 BTK (0.49) BTKAURKAPDPK1AURKBMAP4K4
SCHEMBL14050955 0.76 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1
SCHEMBL14051009 0.75 AURKA (0.41) BTKAURKAPDPK1AURKBCHEK1
SCHEMBL14413696 0.75 MAP4K4 (0.47) BTKAURKAPDPK1AURKBMAP4K4

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 BTK 575/4885AURKA 92/4885PDPK1 71/4885

“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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