SCHEMBL14050907

SCHEMBL14050907

CC(C)(C)OC(=O)NCCN[C@H]1CCN(c2nc3c(Br)cnn3c(N)c2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 4/20 0.40
▸ PDE10A Q9Y233 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ CSNK1D P48730 1/20 0.34
▸ CKS1B P61024 2/20 0.34
▸ SKP1 P63208 2/20 0.34
▸ SKP2 Q13309 2/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33

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
SCHEMBL14051088 0.92 SUV39H2 (0.39) SUV39H2PDE10ASIRT2SIRT1SIRT3
SCHEMBL11930799 0.92 PDE10A (0.36) SUV39H2PDE10ASIRT2SIRT1SIRT3
SCHEMBL14050804 0.89 SUV39H2 (0.43) SUV39H2PDE10ACKS1BSKP1SKP2
SCHEMBL14050954 0.85 SUV39H2 (0.44) SUV39H2PDE10ASIRT2SIRT1SIRT3
SCHEMBL14545860 0.83 HRH4 (0.34) —
SCHEMBL14050837 0.83 HRH4 (0.34) —
SCHEMBL11930804 0.82 CHEK1 (0.35) —
SCHEMBL14050865 0.81 PDE10A (0.43) SUV39H2PDE10ACKS1BSKP1SKP2
SCHEMBL11931289 0.81 PDE10A (0.44) SUV39H2PDE10ACKS1BSKP1SKP2
SCHEMBL11931288 0.80 PDE10A (0.42) SUV39H2PDE10ACKS1BSKP1SKP2

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 SUV39H2 2517/4885PDE10A 1523/4885SIRT2 1489/4885

“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