SCHEMBL9010853

SCHEMBL9010853

CC(C)(C)OC(=O)N1CCCN(c2nccc(C(=O)c3cccnc3N)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.52
PTPN11 Q06124 1/20 0.51
ACHE P22303 2/20 0.50
POLB P06746 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
CHRNA7 P36544 1/20 0.45
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
MAPT P10636 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MAP4K4 O95819 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PKM P14618 1/20 0.42
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
SCHEMBL13857243 0.90 ACHE (0.51) PTPN11ACHEPOLBGPR119CKS1B
SCHEMBL8969675 0.87 PRKCQ (0.69) PRKCQCKS1BSKP1SKP2PRKCA
SCHEMBL8964402 0.82 ACHE (0.51) PTPN11ACHEGPR119CKS1BSKP1
SCHEMBL1478919 0.81 GBA1 (0.47) PRKCQPTPN11ACHEPOLBCKS1B
SCHEMBL29319392 0.80 ACHE (0.60) PTPN11ACHEPOLBGPR119CKS1B
SCHEMBL27340911 0.79 GPR119 (0.70) ACHEPOLBGPR119CKS1BSKP1
SCHEMBL1479067 0.79 POLB (0.47) PRKCQPTPN11POLBGPR119CKS1B
SCHEMBL25237476 0.78 ACHE (0.60) PTPN11ACHEPOLBGPR119CKS1B
SCHEMBL7136906 0.78 ACHE (0.63) PTPN11ACHEPOLBGPR119CKS1B
SCHEMBL29319390 0.77 ACHE (0.57) PTPN11ACHEPOLBGPR119CKS1B

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 PRKCQ 38/4885PTPN11 726/4885ACHE 2013/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PTPN11 726/4885ACHE 2013/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PTPN11 726/4885ACHE 2013/4885

“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.