SCHEMBL6498532

SCHEMBL6498532

CC(C)CCC(c1nc2cc(C#N)ccc2[nH]1)n1c(=O)n(C(=O)OC(C)(C)C)c2cnccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.34
S1PR1 P21453 1/20 0.32
CETP P11597 1/20 0.32
GPR119 Q8TDV5 6/20 0.31
PRCP P42785 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
MAPK10 P53779 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6243291 0.86 S1PR1 (0.36) AAK1S1PR1PRCPMAPK10KDM4E
SCHEMBL6241397 0.81 KMT2A (0.36) MAPK10SMN1; SMN2
SCHEMBL6492451 0.80 ALDH1A1 (0.38) AAK1CETPPRCPMAPK10KDM4E
SCHEMBL6498526 0.75 CNR2 (0.36) S1PR1
SCHEMBL6500100 0.72 AAK1 (0.34) AAK1PRCPKDM4ESMN1; SMN2
SCHEMBL12730138 0.71 GPR119 (0.35) GPR119
SCHEMBL6244771 0.67 ALDH1A1 (0.37) KDM4E
SCHEMBL6241625 0.67 PRCP (0.40) CETPPRCPMAPK10KDM4ESMN1; SMN2
SCHEMBL6245308 0.67 SCN10A (0.39) AAK1PRCPMAPK10
SCHEMBL6244968 0.66 SCN10A (0.35) AAK1PRCPMAPK10KDM4ESMN1; 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 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 3081/4885S1PR1 1211/4885CETP 4031/4885

“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.