SCHEMBL16637030

SCHEMBL16637030

O=c1cc(CCl)nc2sc(C(F)(F)F)c(Br)n12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN2A Q12879 14/20 0.40
GRIN1 Q05586 13/20 0.40
GRIA2 P42262 11/20 0.40
GRIN2D O15399 1/20 0.40
GRIN2C Q14957 1/20 0.40
KCNQ3 O43525 3/20 0.39
KCNQ2 O43526 3/20 0.39
KDM4E B2RXH2 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
SCHEMBL16637431 0.80 L3MBTL1 (0.55) L3MBTL1TDP1POLBAPEX1HTT
SCHEMBL16636294 0.79 GRIN2A (0.65) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16637480 0.79 GRIN2A (0.53) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16636635 0.79 L3MBTL1 (0.53) L3MBTL1TDP1POLBAPEX1HTT
SCHEMBL16637570 0.79 L3MBTL1 (0.45) L3MBTL1TDP1POLBAPEX1HTT
SCHEMBL16637105 0.76 GRIN1 (0.56) L3MBTL1TDP1POLBAPEX1HTT
SCHEMBL637490 0.72 L3MBTL1 (0.56) L3MBTL1TDP1POLBAPEX1HTT
SCHEMBL636590 0.70 L3MBTL1 (0.56) L3MBTL1TDP1POLBAPEX1HTT
SCHEMBL16637017 0.68 GRIN2A (0.63) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645836 0.66 GRIN2A (0.72) GRIN2AGRIN1GRIA2GRIN2DGRIN2C

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
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 L3MBTL1 4804/4885TDP1 2051/4885POLB 3179/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 L3MBTL1 4804/4885TDP1 2051/4885POLB 3179/4885
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 L3MBTL1 4804/4885TDP1 2051/4885POLB 3179/4885

“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.