SCHEMBL16645577

SCHEMBL16645577

Cc1sc2nc(CN3c4ccccc4CC3C)cc(=O)n2c1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 1/20 0.59
ALOX15 P16050 1/20 0.59
STAT3 P40763 1/20 0.59
GRIN1 Q05586 7/20 0.47
GRIN2A Q12879 7/20 0.47
GRIA2 P42262 4/20 0.47
PKM P14618 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL16636911 0.88 GRIN2A (0.56) MEN1KMT2AALDH1A1KDM4EALOX15
SCHEMBL17958257 0.77 ALDH1A1 (0.70) MEN1KMT2AALDH1A1KDM4EALOX15
SCHEMBL16645777 0.70 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EALOX15
SCHEMBL16645779 0.70 GRIN2A (0.58) MEN1KMT2AALDH1A1KDM4EALOX15
SCHEMBL16636986 0.69 GRIN1 (0.69) ALDH1A1KDM4EGRIN1GRIN2AGRIA2
SCHEMBL16636404 0.67 GRIN2A (0.84) GRIN1GRIN2AGRIA2
SCHEMBL16636646 0.67 GRIN1 (0.67) GRIN1GRIN2AGRIA2
SCHEMBL16636513 0.65 GRIN1 (0.76) GRIN1GRIN2AGRIA2
SCHEMBL16645792 0.65 GRIN1 (0.66) GRIN1GRIN2AGRIA2HTTPOLB
SCHEMBL3526929 0.65 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4EALOX15

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 12 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
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP 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-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 (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-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 MEN1 1268/4885KMT2A 4461/4885ALDH1A1 159/4885
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 MEN1 1268/4885KMT2A 4461/4885ALDH1A1 159/4885

“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.