SCHEMBL6648819

SCHEMBL6648819

NN1CCN(c2cc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 9/20 0.69
▸ APAF1 O14727 5/20 0.69
▸ CASP3 P42574 5/20 0.69
▸ SENP8 Q96LD8 5/20 0.69
▸ SENP7 Q9BQF6 5/20 0.69
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ SAE1 Q9UBE0 4/20 0.44
▸ UBA2 Q9UBT2 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ SENP6 Q9GZR1 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ THRB P10828 3/20 0.44
▸ TNKS O95271 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ UBE2I P63279 2/20 0.44
▸ GALK1 P51570 1/20 0.44
▸ SMAD3 P84022 1/20 0.44

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
SCHEMBL19051444 0.82 APAF1 (1.00) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL6648831 0.81 CDC25B (0.64) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL6648820 0.80 APAF1 (0.63) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL6647610 0.80 CDC25B (0.63) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL6649052 0.79 APAF1 (0.65) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL6646110 0.79 APAF1 (0.61) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL6644553 0.78 TNKS (0.48) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL31378554 0.78 APAF1 (0.60) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL15332563 0.77 CDC25B (0.63) CDC25BAPAF1CASP3SENP8SENP7
SCHEMBL6644982 0.77 APAF1 (0.59) CDC25BAPAF1CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 CDC25B 3854/4885APAF1 318/4885CASP3 308/4885

“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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