SCHEMBL6243291

SCHEMBL6243291

CC(C)CCC(c1nc2cc(C#N)ccc2[nH]1)n1c(=O)n(C(CCC(C)C)c2nc3cc(C#N)ccc3[nH]2)c2cnccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
CHUK O15111 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
PRCP P42785 1/20 0.33
CYP19A1 P11511 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
MAPK10 P53779 4/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CFB P00751 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL6498532 0.86 AAK1 (0.34) S1PR1PRCPMAPK10KDM4ESMN1; SMN2
SCHEMBL6500100 0.84 AAK1 (0.34) KDM4CPRCPSCN10AKDM4ESMN1; SMN2
SCHEMBL6241397 0.78 KMT2A (0.36) MAPK10SMN1; SMN2
SCHEMBL6492451 0.76 ALDH1A1 (0.38) PRCPMAPK10KDM4EAAK1
SCHEMBL6245308 0.74 SCN10A (0.39) GSK3BPRCPSCN10APKN1PKN2
SCHEMBL6244735 0.74 SLC6A2 (0.33) AAK1
SCHEMBL6244968 0.74 SCN10A (0.35) PRCPSCN10AMAPK10KDM4ESMN1; SMN2
SCHEMBL6243588 0.73 SCN10A (0.37) GSK3BSCN10AMAPK10AAK1CFB
SCHEMBL6276894 0.72 KDM4E (0.34) KDM4CPRCPSCN10AKDM4ESMN1; SMN2
SCHEMBL6494315 0.71 SLC6A2 (0.40) SCN10AKDM4ESMN1; SMN2PARP1

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 S1PR1 1211/4885CHUK 63/4885GSK3A 2518/4885

“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.