SCHEMBL6500100

SCHEMBL6500100

CC(C)CCC(c1nc2cc(CN)ccc2[nH]1)n1c(=O)n(C(CCC(C)C)c2nc3cc(CN)ccc3[nH]2)c2cnccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.34
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
PRCP P42785 1/20 0.30
RPS6KA5 O75582 1/20 0.30

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
SCHEMBL6244735 0.90 SLC6A2 (0.33) AAK1
SCHEMBL6276894 0.88 KDM4E (0.34) AAK1KDM4ESMN1; SMN2SCN10AKDM4C
SCHEMBL6244320 0.86 SLC6A2 (0.39) KDM4ESCN10AGAAPKM
SCHEMBL6243291 0.84 S1PR1 (0.36) AAK1KDM4ESMN1; SMN2SCN10AKDM4C
SCHEMBL6502626 0.79 SLC6A2 (0.38) KDM4ESCN10APRCP
SCHEMBL6262136 0.78 SCN10A (0.40) AAK1KDM4ESCN10A
SCHEMBL6249082 0.78 POLB (0.43) KDM4ESCN10A
SCHEMBL6504655 0.77 SLC6A2 (0.39) KDM4ESCN10A
SCHEMBL6245910 0.77 CYP3A4 (0.41)
SCHEMBL6243782 0.77 SLC6A2 (0.39) KDM4ESMN1; SMN2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 AAK1 3081/4885KDM4E 335/4885SMN1; SMN2 492/4885

“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.