SCHEMBL13439635

SCHEMBL13439635

Bc1cc2c(C)nc(SC)nc2nc1OC1CCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.34
▸ LRRK2 Q5S007 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
SCHEMBL1982946 0.85 PKM (0.34) PKMLRRK2
SCHEMBL13439636 0.64 PIK3CA (0.43) —
SCHEMBL25202064 0.58 KDR (0.47) LRRK2
SCHEMBL30397808 0.58 KDR (0.47) LRRK2
SCHEMBL1983467 0.57 PIK3CA (0.58) —
SCHEMBL29136332 0.56 PDGFRB (0.34) —
SCHEMBL22105478 0.56 FFAR4 (0.36) LRRK2
SCHEMBL25408366 0.56 HTR2A (0.35) —
SCHEMBL21285403 0.56 LRRK2 (0.39) LRRK2
SCHEMBL22105416 0.56 LRRK2 (0.39) LRRK2

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-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 — — US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 — — 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-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PKM 617/4885LRRK2 538/4885

“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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