SCHEMBL8964402

SCHEMBL8964402

CC(C)(C)OC(=O)N1CCCN(c2nccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
GBA1 P04062 1/20 0.49
PKM P14618 1/20 0.47
KIT P10721 1/20 0.47
GPR119 Q8TDV5 7/20 0.46
MAPT P10636 1/20 0.46
PTPN11 Q06124 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
CHRNA7 P36544 1/20 0.44
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL8963114 0.86 CKS1B (0.55) CKS1BSKP1SKP2CCNA2CDK2
SCHEMBL13857243 0.83 ACHE (0.51) ACHECKS1BSKP1SKP2GBA1
SCHEMBL9010853 0.82 PRKCQ (0.52) ACHECKS1BSKP1SKP2PKM
SCHEMBL7136906 0.78 ACHE (0.63) ACHECKS1BSKP1SKP2KIT
SCHEMBL29319392 0.78 ACHE (0.60) ACHECKS1BSKP1SKP2KIT
SCHEMBL25237476 0.78 ACHE (0.60) ACHECKS1BSKP1SKP2GPR119
SCHEMBL27340911 0.78 GPR119 (0.70) ACHECKS1BSKP1SKP2GPR119
SCHEMBL5655442 0.77 GPR119 (0.73) CKS1BSKP1SKP2GBA1KIT
SCHEMBL8963893 0.77 CKS1B (0.54) CKS1BSKP1SKP2CCNA2CDK2
SCHEMBL30995427 0.76 ACHE (0.61) ACHECKS1BSKP1SKP2GPR119

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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ACHE 2013/4885CKS1B 137/4885SKP1 386/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ACHE 2013/4885CKS1B 137/4885SKP1 386/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ACHE 2013/4885CKS1B 137/4885SKP1 386/4885

“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.