SCHEMBL19743314

SCHEMBL19743314

Cc1ccc(C(=NO)C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19743313 1.00 TSHR (0.49) TSHRGAAALDH1A1ALOX15HSD17B10
SCHEMBL9799599 0.84 HSD17B10 (0.49) TSHRGAAALDH1A1ALOX15HSD17B10
SCHEMBL9799567 0.84 ALDH1A1 (0.53) TSHRGAAALDH1A1ALOX15HSD17B10
SCHEMBL9799603 0.84 HSD17B10 (0.49) TSHRGAAALDH1A1ALOX15HSD17B10
SCHEMBL9799574 0.84 ALDH1A1 (0.53) TSHRGAAALDH1A1ALOX15HSD17B10
SCHEMBL19743294 0.75 CHRNA1 (0.50) ALDH1A1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL20934776 0.75 SLC6A2 (0.43) GAAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3115579 0.74 HPGD (0.42) TSHRGAAALDH1A1SLC6A2SLC6A4
SCHEMBL4668500 0.74 ALDH1A1 (0.63) GAAALDH1A1ALOX15HSD17B10HPGD
SCHEMBL4668497 0.74 ALDH1A1 (0.63) GAAALDH1A1ALOX15HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475283-B1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-08-11 EP disclosed
EP-3475280-B1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-08 EP disclosed
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
US-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
EP-3475280-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
EP-3475283-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220544-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO disclosed
WO-2017220516-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 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 (4 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-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R TSHR 838/4885GAA 3990/4885ALDH1A1 267/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP TSHR 656/4885GAA 4046/4885ALDH1A1 240/4885
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R TSHR 838/4885GAA 3990/4885ALDH1A1 267/4885
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives TYMS, DPYD, TYMP TSHR 656/4885GAA 4046/4885ALDH1A1 240/4885

“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.