SCHEMBL6247183

SCHEMBL6247183

CC(=O)OCc1nc2cc(C#N)ccc2n1CCCCF

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
JAK3 P52333 4/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 1/20 0.37
ADORA2A P29274 2/20 0.37
RORC P51449 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NLRP3 Q96P20 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
SCHEMBL3734374 0.88 ITK (0.40) ITKHTTHSD17B10ADORA2ARAB9A
SCHEMBL6218617 0.84 MAPT (0.39) ITKJAK2JAK1TYK2JAK3
SCHEMBL6241622 0.84 CNR2 (0.47)
SCHEMBL6489644 0.81 SMN1; SMN2 (0.43) ITKPTGER4ADORA2ARAB9AATM
SCHEMBL6489831 0.80 ADORA2A (0.43) ITKJAK2JAK1TYK2JAK3
SCHEMBL7886984 0.72 RAB9A (0.43) JAK2JAK1TYK2JAK3RAB9A
SCHEMBL6492612 0.72 HDAC1 (0.47) ITKHTTHSD17B10PTGER4ADORA2A
SCHEMBL12420812 0.71 APEX1 (0.42) ITKJAK2JAK1TYK2JAK3
SCHEMBL13041706 0.70 RAB9A (0.39) JAK2JAK1TYK2JAK3RAB9A
SCHEMBL3729573 0.69 RAB9A (0.42) ITKRAB9ANPC1

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 5 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
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 ITK 2661/4885JAK2 730/4885JAK1 676/4885

“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.