SCHEMBL8963377

SCHEMBL8963377

CC(C)(C)COC(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B14 Q9BPX1 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
GBA1 P04062 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8963376 0.91 PRKCQ (0.45) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963114 0.88 CKS1B (0.55) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963253 0.87 PRKCQ (0.42) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963170 0.87 PRKCQ (0.46) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963437 0.86 PRKCQ (0.44) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL12751972 0.85 ALDH1A1 (0.41) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963233 0.85 RAB9A (0.42) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963549 0.85 REV1 (0.48) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963072 0.83 PRKCQ (0.48) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL15930656 0.83 PRKCQ (0.43) PRKCQCKS1BSKP1SKP2ALDH1A1

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-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 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 38/4885CKS1B 137/4885SKP1 386/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885CKS1B 137/4885SKP1 386/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885CKS1B 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.