SCHEMBL14413680

SCHEMBL14413680

CC(C)(C)OC(=O)Nc1cc(N2CC(NC(=O)OC(C)(C)C)C2)nc2c(Br)cnn12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ SUV39H2 Q9H5I1 6/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ MAP4K4 O95819 2/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL14050999 0.93 SUV39H2 (0.48) PDE10AJAK3BTKSUV39H2CKS1B
SCHEMBL14413671 0.93 SUV39H2 (0.48) PDE10AJAK3BTKSUV39H2CKS1B
SCHEMBL14413674 0.90 CKS1B (0.51) PDE10AJAK3BTKSUV39H2CKS1B
SCHEMBL14051009 0.87 AURKA (0.41) PDE10AJAK3BTKSUV39H2CKS1B
SCHEMBL14413660 0.83 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4CDK2
SCHEMBL14413682 0.82 CDK2 (0.45) CKS1BSKP1SKP2NTRK1CDK2
SCHEMBL14413684 0.82 CDK2 (0.45) CKS1BSKP1SKP2NTRK1CDK2
SCHEMBL14413700 0.81 BTK (0.46) PDE10AJAK3BTKSUV39H2CKS1B
SCHEMBL14413699 0.81 BTK (0.50) PDE10AJAK3BTKSUV39H2CKS1B
SCHEMBL14413696 0.81 MAP4K4 (0.47) PDE10AJAK3BTKSUV39H2CKS1B

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 5 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
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 1523/4885JAK3 296/4885BTK 575/4885

“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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