SCHEMBL1984569

SCHEMBL1984569

CO[C@H]1CC[C@H](Nc2nc(N)nc(C)c2C=CC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.40
MAPK9 P45984 6/20 0.40
PIK3CA P42336 1/20 0.34
MAPK3 P27361 1/20 0.33
GBA1 P04062 1/20 0.33
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1984570 1.00 MAPK8 (0.40) MAPK8MAPK9PIK3CAMAPK3GBA1
SCHEMBL1984567 1.00 MAPK8 (0.40) MAPK8MAPK9PIK3CAMAPK3GBA1
SCHEMBL8202236 0.88 MAPK8 (0.38) MAPK8MAPK9
SCHEMBL1984281 0.87 CHUK (0.40) MAPK8MAPK9ALDH1A1
SCHEMBL1984278 0.87 CHUK (0.40) MAPK8MAPK9ALDH1A1
SCHEMBL8202941 0.87 CHUK (0.40) MAPK8MAPK9ALDH1A1
SCHEMBL1984275 0.87 CHUK (0.40) MAPK8MAPK9ALDH1A1
SCHEMBL1984119 0.86 PIK3CA (0.40) PIK3CAJAK1TYK2
SCHEMBL15453182 0.86 PIK3CA (0.40) PIK3CAJAK1TYK2
SCHEMBL1984114 0.86 PIK3CA (0.40) PIK3CAJAK1TYK2

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 10 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
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-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-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
EP-2074122-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS Pfizer Products Incorporated (US) 2009-07-01 EP 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 MAPK8 437/4885MAPK9 172/4885PIK3CA 3/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA MAPK8 437/4885MAPK9 172/4885PIK3CA 3/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA MAPK8 437/4885MAPK9 172/4885PIK3CA 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.