SCHEMBL7034328

SCHEMBL7034328

C=CCN([C]=O)c1ncc2ccccc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.33
▸ KDM4E B2RXH2 6/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ FDPS P14324 1/20 0.33
▸ CCNA2 P20248 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CDK7 P50613 4/20 0.32
▸ CCNH P51946 4/20 0.32
▸ MNAT1 P51948 4/20 0.32
▸ CCNK O75909 3/20 0.32
▸ CDK12 Q9NYV4 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL28565830 0.83 TLR8 (0.37) TLR8KDM4ECYP1A2FDPSALDH1A1
SCHEMBL5675046 0.69 FGFR4 (0.45) KDM4ECYP1A2CCNA2CDK2CDK7
SCHEMBL6669910 0.68 CYP2D6 (0.38) KDM4EALDH1A1RAB9AMAPTSLC6A2
SCHEMBL277885 0.68 ESR1 (0.41) KDM4ECYP1A2ALDH1A1ATMRAB9A
SCHEMBL12003727 0.67 CYP1A2 (0.56) KDM4ECYP1A2ALDH1A1HPGDMAPT
SCHEMBL31391395 0.67 CYP1A2 (0.56) KDM4ECYP1A2ALDH1A1HPGDMAPT
SCHEMBL1573639 0.67 ALDH1A1 (0.41) KDM4EALDH1A1HPGDATMMAPT
SCHEMBL27864952 0.66 ALDH1A1 (0.35) TLR8KDM4ECCNA2CDK2CDK7
SCHEMBL983301 0.65 KDM4E (0.38) TLR8KDM4ECYP1A2FDPSALDH1A1
SCHEMBL23978672 0.64 CYP1A2 (0.45) TLR8KDM4ECYP1A2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 — — 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 (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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 TLR8 2191/4885KDM4E 1370/4885CYP1A2 68/4885

“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.

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