SCHEMBL6837082

SCHEMBL6837082

NC(=O)c1cn2c3c(cccc3c1=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
PARP1 P09874 4/20 0.38
PARP2 Q9UGN5 1/20 0.37
PDE4A P27815 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
SCHEMBL9746697 0.92 HTR2A (0.51) MEN1KMT2AHTR2AHTR2CMTNR1A
SCHEMBL5434419 0.87 MCL1 (0.41) KMT2AHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL6731975 0.83 GSK3A (0.47) PARP1
SCHEMBL6834809 0.80 MEN1 (0.39) MEN1KMT2APARP1PARP2PDE4A
SCHEMBL6827905 0.80 MEN1 (0.39) MEN1KMT2APARP1PARP2PDE4A
SCHEMBL6827366 0.80 AURKA (0.40) MEN1KMT2APARP1PDE4A
SCHEMBL5434257 0.79 KDM4E (0.54) MTNR1AMTNR1B
SCHEMBL8039755 0.79 HTR2A (0.49) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL6835175 0.77 MCL1 (0.42) MEN1KMT2AHTR2AHTR2CPARP1
SCHEMBL6835431 0.77 PARP1 (0.49) MEN1KMT2APARP1PDE4A

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
EP-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP claimed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO claimed
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US 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 (2 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MEN1 2250/4885KMT2A 993/4885HTR2A 4049/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MEN1 2250/4885KMT2A 993/4885HTR2A 4049/4885

“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.