SCHEMBL6311332

SCHEMBL6311332

O=C1NCCN(Cc2ccccc2)c2c1sc1ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.39
PIM1 P11309 4/20 0.39
PIM2 Q9P1W9 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE7A Q13946 2/20 0.39
PDE3A Q14432 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
AVPR1A P37288 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6312999 0.93 MAPT (0.57) MAPTCYP2C9CYP2C19PIM1PIM2
SCHEMBL6311127 0.88 POLB (0.44) MAPTCYP2C9CYP2C19KDM4EPDE4A
SCHEMBL6312660 0.87 ALDH1A1 (0.51) MAPTCYP2C9CYP2C19KDM4EPIM1
SCHEMBL6312608 0.87 CDK1 (0.46) MAPTCYP2C9CYP2C19KDM4EPIM1
SCHEMBL6320066 0.85 MAPKAPK2 (0.56) MAPTKDM4EALDH1A1DRD4DRD3
SCHEMBL6313843 0.84 PIM1 (0.36) MAPTCYP2C9CYP2C19KDM4EPIM1
SCHEMBL6313536 0.84 KAT2B (0.45) MEN1POLBKMT2A
SCHEMBL6314119 0.83 CDK1 (0.51) MAPTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL6312417 0.82 CDK1 (0.37) MAPTCYP2C9CYP2C19PIM1PIM2
SCHEMBL6318750 0.82 MAPT (0.49) MAPTCYP2C9CYP2C19KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US claimed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US claimed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO claimed
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L MAPT 2154/4885CYP2C9 593/4885CYP2C19 77/4885

“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.