SCHEMBL23206352

SCHEMBL23206352

Cc1cn(CCc2cn(C)nc2CC2CCN(C)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ QPCT Q16769 1/20 0.32
▸ ACHE P22303 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL23206356 0.76 HRH3 (0.35) HRH3HRH4KDM2BNMT1QPCT
SCHEMBL22302587 0.76 HRH3 (0.43) HRH3HRH4KDM2BQPCTACHE
SCHEMBL22180827 0.74 HRH3 (0.43) HRH3HRH4NMT1ACHE
SCHEMBL22198925 0.74 KDM2B (0.52) HRH3HRH4KDM2BQPCTCHRM3
SCHEMBL13681917 0.70 KDM2B (0.45) HRH3HRH4KDM2BQPCTCHRM3
SCHEMBL20644871 0.68 CPB1 (0.35) HRH3KDM2BACHECHRM3
SCHEMBL23519498 0.64 HDAC3 (0.33) HRH3HRH4NMT1
SCHEMBL26231867 0.63 SCN2A (0.39) QPCT
SCHEMBL13681927 0.62 KCNH2 (0.42) HRH3KDM2BCHRM3
SCHEMBL12247669 0.62 PHF8 (0.49) KDM2BQPCT

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-20210101887-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION AND PROCESS FOR MAKING THEM ASTEX THERAPEUTICS LIMITED (GB) 2021-04-08 — — 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-20210101887-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION AND PROCESS FOR MAKING THEM MDM2, TP53, TP53BP1 HRH3 4108/4885HRH4 4136/4885KDM2B 3266/4885

“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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