SCHEMBL8963170

SCHEMBL8963170

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
HSD17B14 Q9BPX1 2/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMO Q99835 2/20 0.41
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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 0.90 PRKCQ (0.45) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14
SCHEMBL8963114 0.89 CKS1B (0.55) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14
SCHEMBL8963253 0.89 PRKCQ (0.42) PRKCQALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL8963072 0.89 PRKCQ (0.48) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14
SCHEMBL15930656 0.88 PRKCQ (0.43) PRKCQALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL8963867 0.87 MEN1 (0.46) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14
SCHEMBL8963368 0.87 PRKCQ (0.44) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14
SCHEMBL8963377 0.87 PRKCQ (0.42) PRKCQALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL8963284 0.87 KMT2A (0.46) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14
SCHEMBL8963489 0.86 CKS1B (0.47) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14

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 4211/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885KDM4E 990/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885KDM4E 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.