SCHEMBL6320565

SCHEMBL6320565

COc1ccc2sc3c(c2c1)N(Cc1ccc(C#N)cc1)CCN(C)C3=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPT P10636 1/20 0.39
CDK1 P06493 3/20 0.39
MAPKAPK2 P49137 3/20 0.39
CCR8 P51685 1/20 0.38
PRKD1 Q15139 2/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GRIN1 Q05586 1/20 0.35

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
SCHEMBL6320256 0.81 MAPKAPK2 (0.43) MAPTCDK1MAPKAPK2PRKD1CYP1A2
SCHEMBL6312783 0.79 MAPKAPK2 (0.49) MAPTCDK1MAPKAPK2PRKD1CYP1A2
SCHEMBL6313864 0.79 MAPKAPK2 (0.41) MAPTCDK1MAPKAPK2PRKD1CYP1A2
SCHEMBL6319365 0.78 MAPKAPK2 (0.43) MAPTCDK1MAPKAPK2PRKD1CYP1A2
SCHEMBL6312286 0.77 MAPKAPK2 (0.40) MAPTCDK1MAPKAPK2PRKD1SMN1; SMN2
SCHEMBL6320038 0.77 MAPKAPK2 (0.58) MAPTCDK1MAPKAPK2PRKD1ALDH1A1
SCHEMBL6318838 0.75 MAPKAPK2 (0.55) CDK1MAPKAPK2PRKD1SMN1; SMN2ALDH1A1
SCHEMBL6313364 0.75 MAPKAPK2 (0.55) CDK1MAPKAPK2PRKD1SMN1; SMN2
SCHEMBL6320066 0.73 MAPKAPK2 (0.56) MAPTCDK1MAPKAPK2PRKD1ALDH1A1
SCHEMBL6319418 0.72 AKR1B10 (0.40) MAPTCDK1MAPKAPK2CYP1A2SMN1; SMN2

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 PIK3R1 3022/4885PIK3CA 2292/4885MAPT 2154/4885

“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.