SCHEMBL14050871

SCHEMBL14050871

CC(C)(C)OC(=O)N[C@H]1CCN(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SUV39H2 Q9H5I1 5/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ MAP4K4 O95819 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ CCNA2 P20248 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 0.84 SUV39H2 (0.43) SUV39H2CKS1BSKP1SKP2BTK
SCHEMBL14050870 0.84 BTK (0.47) SUV39H2CKS1BSKP1SKP2BTK
SCHEMBL14050865 0.82 PDE10A (0.43) SUV39H2CKS1BSKP1SKP2BTK
SCHEMBL14545816 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL11930783 0.79 CHEK1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL11931289 0.77 PDE10A (0.44) SUV39H2CKS1BSKP1SKP2BTK
SCHEMBL11931287 0.76 CKS1B (0.49) SUV39H2CKS1BSKP1SKP2BTK
SCHEMBL11930792 0.75 CHEK1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL14413595 0.75 CHEK1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL11931288 0.75 PDE10A (0.42) SUV39H2CKS1BSKP1SKP2BTK

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 NPC1 4113/4885RAB9A 3262/4885SMN1; SMN2 2284/4885

“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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