SCHEMBL4922557

SCHEMBL4922557

CCCN1Cc2nc3c(-c4cccc(N(C)C)c4)cccc3c(N)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ FYN P06241 5/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ HRH4 Q9H3N8 2/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 1/20 0.32

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
SCHEMBL2660678 0.87 GABRG2 (0.45) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660713 0.87 HRH4 (0.42) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2661370 0.87 TLR8 (0.36) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2661560 0.85 BRD4 (0.40) HRH4BRD4
SCHEMBL2656723 0.84 GABRG2 (0.44) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660726 0.84 ENPP1 (0.38) LMNAPARP1HTTPARP2HRH4
SCHEMBL2660637 0.83 LMNA (0.38) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660707 0.83 CRHR1 (0.41) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2655841 0.83 DHPS (0.40) LMNAPARP1HTTPARP2
SCHEMBL2660768 0.83 CHRM1 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF LMNA 1909/4885PARP1 1350/4885HTT 503/4885

“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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