SCHEMBL19743661

SCHEMBL19743661

Cc1ccccc1C1(C(F)(F)F)NN1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.43
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.35
TDP1 Q9NUW8 4/20 0.35
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL28100618 0.71 PDK2 (0.43) PDK2ACHETSHROPRM1TDP1
SCHEMBL19743353 0.71 PDK2 (0.43) PDK2ACHETSHRTDP1CYP3A4
SCHEMBL14216812 0.69 ALDH1A1 (0.36) PDK2TSHROPRM1
SCHEMBL14216867 0.65 MAOB (0.38) ACHETSHRTDP1
SCHEMBL9616256 0.61 PDK2 (0.50) PDK2
SCHEMBL22481699 0.61 LMNA (0.44) PDK2ACHETSHROPRM1TDP1
SCHEMBL11470022 0.61 ACHE (0.45) PDK2ACHETSHROPRM1TDP1
SCHEMBL30612856 0.59 PDK2 (0.48) PDK2
SCHEMBL15203037 0.59 PDK2 (0.76) PDK2
SCHEMBL8984654 0.59 ESR1 (0.50) PDK2ACHETSHROPRM1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475280-B1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-08 EP disclosed
US-10457684-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-20190127383-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
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 (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-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R PDK2 286/4885ACHE 3219/4885TSHR 838/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP PDK2 278/4885ACHE 2356/4885TSHR 656/4885

“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.