SCHEMBL13362919

SCHEMBL13362919

CBc1ccc2nc(Nc3cccc(C4CCN(S#CO)CC4)c3)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.41
▸ MAP4K1 Q92918 12/20 0.40
▸ SCN9A Q15858 2/20 0.39
▸ MAP3K5 Q99683 3/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL13252759 0.76 MAP4K1 (0.50) MAP4K1MAP4K3
SCHEMBL13252743 0.75 DGAT1 (0.41) DGAT1MAP4K1SCN9AMAP3K5MAP4K3
SCHEMBL12671463 0.75 MAP4K1 (0.51) MAP4K1MAP4K3KCNH2
SCHEMBL13252104 0.75 MAP4K1 (0.63) MAP4K1SCN9AMAP4K3
SCHEMBL13225911 0.74 BRAF (0.41) DGAT1MAP4K1SCN9AMAP3K5MAP4K3
SCHEMBL13362982 0.72 SYK (0.45) DGAT1MAP4K1SCN9A
SCHEMBL12671181 0.71 ALK (0.42) DGAT1MAP3K5BRAF
SCHEMBL13252757 0.71 HTR2C (0.50) DGAT1MAP3K5BRAFKCNH2
SCHEMBL12671180 0.70 JAK3 (0.51) DGAT1BRAF
SCHEMBL13252105 0.69 PRKCQ (0.46) DGAT1MAP3K5BRAF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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 (1 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 DGAT1 1001/4885MAP4K1 112/4885SCN9A 4623/4885

“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.

Send feedback