SCHEMBL6489831

SCHEMBL6489831

CC(=O)OCCCCCCn1c(CCl)nc2cc(C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.43
ITK Q08881 7/20 0.41
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RORC P51449 1/20 0.37
PTGER4 P35408 1/20 0.36
PDPK1 O15530 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PHKG2 P15735 1/20 0.36
MARK3 P27448 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36
NEK4 P51957 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
SCHEMBL6489644 0.91 SMN1; SMN2 (0.43) ADORA2AITKRAB9AATMSMN1; SMN2
SCHEMBL6218617 0.84 MAPT (0.39) ADORA2AITKRAB9AATMSMN1; SMN2
SCHEMBL6247183 0.80 ITK (0.39) ADORA2AITKRAB9AATMRORC
SCHEMBL7745980 0.80 RAB9A (0.54) RAB9AATMSMN1; SMN2TP53MAPT
SCHEMBL24320209 0.79 PTGER4 (0.53) ADORA2AITKRAB9APTGER4TP53
SCHEMBL3061472 0.78 ALOX5AP (0.43) ADORA2ARORCPTGER4
SCHEMBL3734374 0.77 ITK (0.40) ADORA2AITKRAB9A
Hydrochloric Acid SCHEMBL3063212 0.77 ALOX5AP (0.42) ADORA2ARORCPTGER4
SCHEMBL6248356 0.76 CYP3A4 (0.57) ADORA2AITKPDPK1MAP4K4PAK4
SCHEMBL6241622 0.75 CNR2 (0.47)

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 ADORA2A 1587/4885ITK 2661/4885RAB9A 3010/4885

“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.