SCHEMBL8964532

SCHEMBL8964532

CCN1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.48
HSD17B14 Q9BPX1 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 3/20 0.42
DRD2 P14416 2/20 0.42
PIM1 P11309 1/20 0.41
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39

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
SCHEMBL8964688 0.89 PRKCQ (0.46) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8964529 0.88 PRKCQ (0.44) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8963598 0.87 PRKCQ (0.46) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8964942 0.87 MAPT (0.52) KDM4EALDH1A1SMN1; SMN2HSD11B1MAPK1
SCHEMBL8964208 0.86 PRKCQ (0.64) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8963489 0.85 CKS1B (0.47) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8964520 0.85 HTT (0.49) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8964566 0.85 KDM4E (0.48) PRKCQKDM4EALDH1A1DRD4DRD2
SCHEMBL8963072 0.84 PRKCQ (0.48) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8963376 0.84 PRKCQ (0.45) PRKCQHSD17B14KDM4EALDH1A1SMN1; SMN2

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 38/4885HSD17B14 2544/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885HSD17B14 2544/4885KDM4E 990/4885

“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.