SCHEMBL6490467

SCHEMBL6490467

CC(C)CCC(c1nc2cc(C(=N)N)ccc2[nH]1)n1nnc2ccc(C(=N)N)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.39
F2 P00734 4/20 0.39
F7 P08709 2/20 0.39
TPSAB1 Q15661 3/20 0.37
PRSS1 P07477 3/20 0.37
PLAU P00749 3/20 0.37
PLG P00747 2/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
PLAT P00750 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
SCHEMBL6268953 0.93 HCAR3 (0.40) F10F2F7TPSAB1PRSS1
SCHEMBL6498866 0.88 HCAR3 (0.33) SCN10A
SCHEMBL6264978 0.81 F10 (0.40) F10F2F7TPSAB1PRSS1
SCHEMBL6500557 0.81 HCAR3 (0.38) SCN10A
SCHEMBL6243588 0.78 SCN10A (0.37) SCN10A
SCHEMBL12545642 0.74 KDM4E (0.50) F10F2F7TPSAB1PRSS1
SCHEMBL3830602 0.74 F10 (0.47) F10F2F7TPSAB1PRSS1
SCHEMBL6243680 0.74 APEX1 (0.37) F10F2F7PRSS1PLAU
SCHEMBL3834356 0.73 F10 (0.46) F10F2F7TPSAB1PRSS1
SCHEMBL6244968 0.72 SCN10A (0.35) SCN10A

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 F10 4670/4885F2 4176/4885F7 4182/4885

“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.