SCHEMBL21633192

SCHEMBL21633192

Cc1cc(N2CCC3(CCOCC3)CC2)cc2c(=O)[nH]c(-c3cc(C(F)(F)F)ccn3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.42
TNKS2 Q9H2K2 4/20 0.42
PARP1 P09874 3/20 0.42
PDE9A O76083 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
RAF1 P04049 3/20 0.36
BRAF P15056 3/20 0.36
IGF1R P08069 6/20 0.36
SYK P43405 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAP3K12 Q12852 1/20 0.34
PIK3R2 O00459 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL31230030 1.00 TNKS (0.42) TNKSTNKS2PARP1PDE9APARP2
SCHEMBL21633377 0.81 TNKS (0.41) TNKSTNKS2PARP1IGF1RCYP3A4
SCHEMBL31230090 0.81 TNKS (0.41) TNKSTNKS2PARP1IGF1RCYP3A4
SCHEMBL21633056 0.80 PARP1 (0.40) TNKSTNKS2PARP1IGF1RCYP3A4
SCHEMBL21633197 0.79 CNR2 (0.41) TNKSTNKS2PARP1PDE9APARP2
SCHEMBL31230123 0.79 TNKS (0.41) TNKSTNKS2PARP1IGF1RCYP3A4
SCHEMBL21633099 0.79 TNKS (0.41) TNKSTNKS2PARP1IGF1RCYP3A4
Hydrochloric Acid SCHEMBL21633204 0.79 CNR2 (0.41) TNKSTNKS2PARP1PDE9APARP2
SCHEMBL21632885 0.78 KDM4A (0.41) TNKSTNKS2PARP1PDE9APARP2
Hydrochloric Acid SCHEMBL31230418 0.77 KDM4A (0.41) TNKSTNKS2PARP1PDE9APARP2

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
US-20220089609-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2022-03-24 US claimed
EP-3827001-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Domain Therapeutics (FR) 2021-06-02 EP claimed
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 WO claimed
US-20220089609-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2022-03-24 US disclosed
EP-3827001-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Domain Therapeutics (FR) 2021-06-02 EP disclosed
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 WO disclosed
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 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 (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-20220089609-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 GRIK4, GRM4, GRIA4 TNKS 3832/4885TNKS2 3994/4885PARP1 4711/4885

“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.