SCHEMBL13587325

SCHEMBL13587325

Cn1c(C#C[C@H]2CC[C@@H](C#CC3CCCCC3)CC2)nc2c(=O)[nH]cnc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PNP P00491 1/20 0.32
▸ HPRT1 P00492 3/20 0.32
▸ GRM5 P41594 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ CREBBP Q92793 1/20 0.30

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
SCHEMBL13587327 0.98 ALDH1A1 (0.34) ALDH1A1LMNAALBMAPK1PNP
SCHEMBL13587329 0.81 PDE7A (0.36) PNPHPRT1
SCHEMBL13587326 0.79 PNP (0.38) PNPHPRT1
SCHEMBL13587322 0.79 ADORA2A (0.45) CYP1A2ADORA3
SCHEMBL13587323 0.76 ADORA2A (0.47) CYP1A2ADORA3
SCHEMBL13587321 0.74 GRM5 (0.30) GRM5
SCHEMBL13587316 0.72 IP6K1 (0.45) ALDH1A1LMNAMAPK1GRM5ADORA3
SCHEMBL13587319 0.71 GRM5 (0.31) GRM5CREBBP
SCHEMBL13587320 0.69 IP6K1 (0.37) ALDH1A1LMNAMAPK1PNPHPRT1
SCHEMBL13587330 0.68 IP6K1 (0.39) ALDH1A1MAPK1PNPHPRT1GRM5

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-20090299049-A1 Bicyclic Compounds and Their Use REPLIZYME LIMITED (GB) 2009-12-03 — — 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-20090299049-A1 Bicyclic Compounds and Their Use ERCC4, PARP1, ERCC5 ALDH1A1 1108/4885LMNA 93/4885ALB 4867/4885

“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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