SCHEMBL11931289

SCHEMBL11931289

Cc1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nc2c(Br)cnn2c1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.44
▸ SUV39H2 Q9H5I1 8/20 0.43
▸ MAP4K4 O95819 2/20 0.42
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ BTK Q06187 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CTSK P43235 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38

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 0.92 SUV39H2 (0.43) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL11931288 0.89 PDE10A (0.42) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL11931287 0.86 CKS1B (0.49) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL14050863 0.83 SUV39H2 (0.49) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL14050865 0.82 PDE10A (0.43) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL14050907 0.81 SUV39H2 (0.40) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL14051088 0.79 SUV39H2 (0.39) PDE10ASUV39H2CKS1BSKP1SKP2
SCHEMBL14413671 0.78 SUV39H2 (0.48) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL14050999 0.78 SUV39H2 (0.48) PDE10ASUV39H2MAP4K4CKS1BSKP1
SCHEMBL14050871 0.77 NPC1 (0.40) PDE10ASUV39H2MAP4K4CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-7776865-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-08-17 — — US disclosed
US-7776865-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-08-17 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 — — 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 (3 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 PDE10A 2927/4885SUV39H2 2004/4885MAP4K4 69/4885
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors CHEK1, CHEK2, BUB1 PDE10A 1963/4885SUV39H2 3046/4885MAP4K4 54/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 PDE10A 2927/4885SUV39H2 2004/4885MAP4K4 69/4885

“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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