SCHEMBL6646992

SCHEMBL6646992

CN1CCN(c2cc3ccc4ccccc4c3c(=O)[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.53
▸ CDC25B P30305 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ HTR3A P46098 4/20 0.49
▸ TNKS O95271 2/20 0.47
▸ PARP1 P09874 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HRH4 Q9H3N8 2/20 0.43
▸ TYMS P04818 1/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL6648820 0.82 APAF1 (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6649111 0.82 PDGFRB (0.47) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646712 0.81 APAF1 (0.48) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6645619 0.81 PDGFRB (0.47) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646122 0.79 APAF1 (0.59) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6648114 0.76 APAF1 (0.48) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6650746 0.75 APAF1 (0.47) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6644067 0.75 PARP1 (0.54) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6644383 0.73 APAF1 (0.48) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6649511 0.73 TNKS (0.61) 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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