SCHEMBL6646122

SCHEMBL6646122

CN1CCN(CCCCN2CCN(c3cc4ccccc4c(=O)[nH]3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.59
▸ CDC25B P30305 1/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ SENP8 Q96LD8 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ TNKS O95271 2/20 0.52
▸ HTR1A P08908 7/20 0.48
▸ HTR7 P34969 7/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ PARP1 P09874 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL6644982 0.90 APAF1 (0.59) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6644935 0.89 APAF1 (0.57) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6645385 0.88 APAF1 (0.74) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646477 0.88 APAF1 (0.59) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646110 0.87 APAF1 (0.61) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6648820 0.86 APAF1 (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6649052 0.85 APAF1 (0.65) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6649536 0.83 TNKS (0.56) TNKSHTR1AHTR7HTR3APARP1
SCHEMBL6646824 0.82 HRH4 (0.49) TNKSHTR1AHTR7PARP1MEN1
SCHEMBL6646992 0.79 APAF1 (0.53) APAF1CDC25BCASP3SENP8SENP7

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 APAF1 318/4885CDC25B 3854/4885CASP3 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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