SCHEMBL18155064

SCHEMBL18155064

O=C1N=Nc2cc3ncncc3nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.35
CYP3A4 P08684 11/20 0.35
TSHR P16473 8/20 0.35
CLK4 Q9HAZ1 4/20 0.35
USP2 O75604 10/20 0.33
CYP2C9 P11712 9/20 0.33
CYP2C19 P33261 7/20 0.33
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 6/20 0.33
MAPK1 P28482 4/20 0.33
EGFR P00533 3/20 0.33
PIK3CG P48736 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HIF1A Q16665 2/20 0.31
LMNA P02545 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL16180251 0.71 CDC25B (0.39)
SCHEMBL29965655 0.71 CDC25B (0.39)
SCHEMBL1180 0.71 CDC25B (0.39)
Methyl Alcohol SCHEMBL18284553 0.67 CDC25B (0.36)
SCHEMBL31337161 0.66 EGFR (0.33) EGFR
SCHEMBL7737681 0.64 CDC25B (0.41)
SCHEMBL4574418 0.64 CDC25B (0.38)
SCHEMBL2975734 0.63 CDC25B (0.48) KMT2A
SCHEMBL16681713 0.62 EGFR (0.33) EGFR
SCHEMBL127479 0.62 EGFR (0.50) CYP1A2CYP3A4TSHRCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531696-B Pyridopyrimidinones as NMDA receptor modulators and their use 豪夫迈·罗氏有限公司 2021-03-16 CN disclosed
EP-3283487-B1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-16 EP disclosed
US-10280165-B2 Pyridopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180127414-A1 PYRIDOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-05-10 US disclosed
EP-3283487-A1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2018-02-21 EP disclosed
CN-107531696-A Pyridopyrimidine ketone and their purposes as nmda receptor conditioning agent 豪夫迈·罗氏有限公司 2018-01-02 CN disclosed
WO-2016166078-A1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-20 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 (2 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-20180127414-A1 PYRIDOPYRIMIDINONES AND METHODS OF USE THEREOF PDXK, XDH, PNPO CYP1A2 58/4885CYP3A4 41/4885TSHR 1025/4885
US-10280165-B2 Pyridopyrimidinones and methods of use thereof PDXK, XDH, PNPO CYP1A2 58/4885CYP3A4 41/4885TSHR 1025/4885

“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.