SCHEMBL6245308

SCHEMBL6245308

CC(C)CCC(c1nc2cc(C#N)ccc2[nH]1)n1nc2ccc(C#N)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.39
CFB P00751 3/20 0.37
AAK1 Q2M2I8 2/20 0.36
CSNK1A1 P48729 2/20 0.34
CSNK1D P48730 2/20 0.34
GSK3B P49841 2/20 0.34
CSNK1G2 P78368 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PIN1 Q13526 1/20 0.33
PRCP P42785 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
MAPK10 P53779 3/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALOX5AP P20292 1/20 0.32

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
SCHEMBL6243588 0.81 SCN10A (0.37) SCN10ACFBAAK1CSNK1A1CSNK1D
SCHEMBL6244968 0.79 SCN10A (0.35) SCN10ACFBAAK1TAAR1PRCP
SCHEMBL6264978 0.78 F10 (0.40) SCN10A
SCHEMBL6500489 0.76 SCN10A (0.34) SCN10AAAK1TAAR1
SCHEMBL13119215 0.76 KDM4E (0.53) SCN10ACFBCSNK1A1CSNK1DGSK3B
Hydrochloric Acid SCHEMBL5858865 0.75 TAAR1 (0.56) TAAR1
SCHEMBL6243291 0.74 S1PR1 (0.36) SCN10ACFBAAK1GSK3BPRCP
SCHEMBL2873832 0.74 SCN10A (0.40) SCN10ACFBAAK1CSNK1A1CSNK1D
SCHEMBL2873806 0.74 SCN10A (0.42) SCN10ACFBAAK1TAAR1PIN1
SCHEMBL6241625 0.73 PRCP (0.40) SCN10ACFBGSK3BPIN1PRCP

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 SCN10A 4810/4885CFB 2457/4885AAK1 3081/4885

“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.