SCHEMBL8963376

SCHEMBL8963376

CCOC(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.45
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMO Q99835 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
DPP4 P27487 1/20 0.42
HSD17B14 Q9BPX1 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41

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
SCHEMBL8963253 0.91 PRKCQ (0.42) PRKCQALDH1A1SMN1; SMN2KDM4ECKS1B
SCHEMBL8963377 0.91 PRKCQ (0.42) PRKCQALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8963170 0.90 PRKCQ (0.46) PRKCQALDH1A1SMN1; SMN2KDM4ESMO
SCHEMBL8963233 0.89 RAB9A (0.42) PRKCQALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12751972 0.89 ALDH1A1 (0.41) PRKCQALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL8963489 0.88 CKS1B (0.47) PRKCQALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8963114 0.87 CKS1B (0.55) PRKCQALDH1A1SMN1; SMN2KDM4ECKS1B
SCHEMBL8963284 0.87 KMT2A (0.46) PRKCQALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8963072 0.87 PRKCQ (0.48) PRKCQALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL15930656 0.87 PRKCQ (0.43) PRKCQALDH1A1SMN1; SMN2KDM4EMAPT

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 38/4885ALDH1A1 4211/4885SMN1; SMN2 1649/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885SMN1; SMN2 1649/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885SMN1; SMN2 1649/4885

“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.