SCHEMBL16636986

SCHEMBL16636986

Cc1sc2nc(Cc3cccc(C#N)c3)cc(=O)n2c1C#N

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.69
GRIN2A Q12879 9/20 0.69
GRIA2 P42262 6/20 0.69
IDH1 O75874 1/20 0.45
NLRP3 Q96P20 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 2/20 0.36
BCAT2 O15382 1/20 0.36
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL16637149 0.88 GRIN1 (0.68) GRIN1GRIN2AGRIA2IDH1NLRP3
SCHEMBL16636664 0.86 GRIN1 (0.78) GRIN1GRIN2AGRIA2IDH1NLRP3
SCHEMBL16645582 0.85 GRIN1 (0.76) GRIN1GRIN2AGRIA2IDH1NLRP3
SCHEMBL16636747 0.85 GRIN1 (0.84) GRIN1GRIN2AGRIA2IDH1NLRP3
SCHEMBL16645472 0.83 GRIN1 (0.62) GRIN1GRIN2AGRIA2IDH1NLRP3
SCHEMBL16637712 0.83 GRIN1 (0.75) GRIN1GRIN2AGRIA2IDH1KDM4E
SCHEMBL16636704 0.82 GRIN2A (0.61) GRIN1GRIN2AGRIA2IDH1NLRP3
SCHEMBL17975715 0.82 GRIN2A (0.61) GRIN1GRIN2AGRIA2IDH1NLRP3
SCHEMBL16645606 0.82 GRIN1 (1.00) GRIN1GRIN2AGRIA2
SCHEMBL16637136 0.81 GRIN2A (0.62) GRIN1GRIN2AGRIA2IDH1NLRP3

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 16 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 claimed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP claimed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US claimed
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
EP-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP 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
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 GRIN1 2250/4885GRIN2A 2506/4885GRIA2 2761/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 GRIN1 2250/4885GRIN2A 2506/4885GRIA2 2761/4885
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 GRIN1 2250/4885GRIN2A 2506/4885GRIA2 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.