SCHEMBL1982946

SCHEMBL1982946

CSc1nc(C)c2cc(Br)c(OC3CCC3)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ POLB P06746 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
SCHEMBL13439635 0.85 PKM (0.34) PKMLRRK2
SCHEMBL28946217 0.67 PIK3CA (0.37) PIK3CA
SCHEMBL1983467 0.67 PIK3CA (0.58) PIK3CA
SCHEMBL22836418 0.66 LRRK2 (0.33) LRRK2
SCHEMBL16334172 0.65 LRRK2 (0.39) LRRK2POLB
SCHEMBL22105478 0.64 FFAR4 (0.36) LRRK2POLB
SCHEMBL31128306 0.64 POLB (0.43) LRRK2POLB
SCHEMBL29136332 0.61 PDGFRB (0.34) POLB
SCHEMBL25852961 0.61 MBOAT4 (0.37) LRRK2POLB
SCHEMBL16334753 0.61 OPRK1 (0.43) LRRK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 — — US disclosed
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 — — US disclosed
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 — — US disclosed
EP-2074122-B9 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2013-09-11 — — EP disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 — — US disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 — — US disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 — — US disclosed
US-8273755-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2012-09-25 — — US disclosed
US-8273755-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2012-09-25 — — US disclosed
US-8273755-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2012-09-25 — — US disclosed
EP-2074122-B1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2011-06-29 — — EP disclosed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 — — US disclosed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 — — US disclosed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 — — US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 — — US disclosed
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
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 — — US disclosed
WO-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 — — WO 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 (3 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 538/4885PIK3CA 3/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PKM 617/4885LRRK2 538/4885PIK3CA 3/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PKM 617/4885LRRK2 538/4885PIK3CA 3/4885

“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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