SCHEMBL16645921

SCHEMBL16645921

Cc1sc2nc(Oc3cccc(C(F)(F)F)c3)cc(=O)n2c1C1CC1CO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 11/20 0.57
GRIN1 Q05586 10/20 0.57
GRIA2 P42262 8/20 0.57
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17975608 1.00 GRIN2A (0.57) GRIN2AGRIN1GRIA2MAPTKDM4E
SCHEMBL16645742 0.84 GRIN2A (0.54) GRIN2AGRIN1GRIA2MAPTKDM4E
SCHEMBL17958296 0.81 GRIN2A (0.70) GRIN2AGRIN1GRIA2
SCHEMBL17958295 0.81 GRIN2A (0.70) GRIN2AGRIN1GRIA2
SCHEMBL16637623 0.79 MAPT (0.46) GRIN2AGRIN1GRIA2MAPTKDM4E
SCHEMBL17958099 0.78 GRIN2A (0.82) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16645718 0.77 GRIN1 (0.56) GRIN2AGRIN1GRIA2MAPTKDM4E
SCHEMBL16645701 0.77 GRIN1 (0.68) GRIN2AGRIN1GRIA2MAPTKDM4E
SCHEMBL16636491 0.74 GRIN2A (0.82) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16636717 0.71 MAPT (0.48) MAPTKDM4EL3MBTL1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 GRIN2A 2506/4885GRIN1 2250/4885GRIA2 2761/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 GRIN2A 2506/4885GRIN1 2250/4885GRIA2 2761/4885
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 GRIN2A 2506/4885GRIN1 2250/4885GRIA2 2761/4885

“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.