SCHEMBL8964729

SCHEMBL8964729

CCc1cncc(C(=O)c2cccc(N3CCCN(C(C)C)CC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.43
HRH3 Q9Y5N1 8/20 0.42
PRKCQ Q04759 1/20 0.40
OGA O60502 3/20 0.40
PIM2 Q9P1W9 2/20 0.37
CHRNA7 P36544 1/20 0.37
HSD11B1 P28845 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 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
SCHEMBL8964433 0.88 HSD17B14 (0.44) HSD17B14HRH3PRKCQOGAHSD11B1
SCHEMBL8964876 0.87 HSD17B14 (0.53) HSD17B14PRKCQPIM2HSD11B1PIM1
SCHEMBL8964722 0.85 HSD17B14 (0.43) HSD17B14HRH3PRKCQOGAPIM2
SCHEMBL8964546 0.83 PRKCQ (0.48) HSD17B14HRH3PRKCQOGAHSD11B1
SCHEMBL8964332 0.82 PRKCA (0.52) HSD17B14PRKCQPIM2PIM1PIM3
SCHEMBL8970271 0.82 PRKCQ (0.53) HRH3PRKCQOGA
SCHEMBL8964520 0.75 HTT (0.49) HSD17B14HRH3PRKCQPIM2HSD11B1
SCHEMBL8964005 0.75 HSD17B14 (0.43) HSD17B14PRKCQPIM2
SCHEMBL8963966 0.75 HSD17B14 (0.55) HSD17B14PRKCQPIM2HSD11B1PIM1
SCHEMBL13857203 0.74 PRKCQ (0.45) HSD17B14HRH3PRKCQOGAHSD11B1

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 HSD17B14 2544/4885HRH3 2990/4885PRKCQ 38/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885HRH3 2990/4885PRKCQ 38/4885

“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.