SCHEMBL4922388

SCHEMBL4922388

CCCN1Cc2nc3c(-c4cnccc4C)cccc3c(N)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ CYP17A1 P05093 12/20 0.37
▸ CYP1A2 P05177 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA2 P47869 2/20 0.35

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
SCHEMBL2657758 0.92 LCK (0.48) LCKBTKCYP17A1CYP1A2GABRG2
SCHEMBL2660780 0.90 GABRG2 (0.42) LCKBTKLMNAPARP1HTT
SCHEMBL4922653 0.88 GABRG2 (0.49) LCKBTKCYP1A2LMNAPARP1
SCHEMBL2660637 0.87 LMNA (0.38) LCKBTKLMNAPARP1HTT
SCHEMBL2655382 0.87 LMNA (0.38) LCKBTKLMNAPARP1HTT
SCHEMBL4924422 0.87 LCK (0.51) LCKBTKCYP17A1CYP1A2
SCHEMBL2655841 0.86 DHPS (0.40) LCKBTKCYP1A2LMNAPARP1
SCHEMBL2661290 0.86 GABRG2 (0.46) LCKBTKLMNAPARP1HTT
SCHEMBL4919219 0.85 HTT (0.36) LMNAPARP1HTTPARP2GABRG2
SCHEMBL4924455 0.85 GABRG2 (0.36) LCKBTKCYP1A2LMNAPARP1

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 LCK 4253/4885BTK 2744/4885CYP17A1 432/4885

“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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