SCHEMBL14050865

SCHEMBL14050865

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ BTK Q06187 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ SUV39H2 Q9H5I1 5/20 0.40
▸ TRPV1 Q8NER1 2/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ CTSK P43235 2/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL14050804 0.90 SUV39H2 (0.43) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL11930799 0.90 PDE10A (0.36) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL17690990 0.89 PDE10A (0.43) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL11931288 0.85 PDE10A (0.42) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL14050800 0.82 PDE10A (0.47) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL11931289 0.82 PDE10A (0.44) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL14050871 0.82 NPC1 (0.40) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL14050907 0.81 SUV39H2 (0.40) PDE10ACKS1BSKP1SKP2MAP4K4
SCHEMBL11930800 0.80 CHEK1 (0.36) PIM1PIM3
SCHEMBL11931287 0.78 CKS1B (0.49) PDE10ACKS1BSKP1SKP2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1523/4885CKS1B 34/4885SKP1 62/4885

“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.

Send feedback