SCHEMBL19743582

SCHEMBL19743582

O=C(SCc1ccccc1CI)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 3/20 0.42
GPR139 Q6DWJ6 1/20 0.40
GSK3B P49841 2/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
CES1 P23141 4/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 3/20 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
SCHEMBL31054302 0.81 CYP1A2 (0.53) CYP2C19CYP1A2KMT2AGPR139GSK3B
Tibenzate SCHEMBL2110094 0.76 IDO1 (0.52) CYP2C19KMT2AGPR139GSK3BPTPN1
SCHEMBL16047247 0.73 KMT2A (0.52) CYP2C19KMT2AGPR139GSK3BPTPN1
SCHEMBL10922242 0.73 KMT2A (0.45) CYP2C19CYP1A2KMT2AGPR139GSK3B
SCHEMBL8698071 0.73 PTGER1 (0.52) KMT2AALDH1A1MAPTHPGDTDP1
SCHEMBL28460668 0.72 IDO1 (0.52) CYP2C19CYP1A2KMT2ACES1HPGD
SCHEMBL31315054 0.71 KMT2A (0.50) CYP2C19KMT2AGPR139GSK3BPTPN1
SCHEMBL28463445 0.70 IDO1 (0.58) KMT2AMAPTCES1TDP1KDM4E
SCHEMBL8466797 0.70 KMT2A (0.49) CYP2C19KMT2AGPR139GSK3BPTPN1
SCHEMBL1641518 0.70 HDAC3 (0.55) KMT2AGPR139GSK3BPTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475282-B1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN LA ROCHE (CH) 2023-08-09 EP disclosed
EP-4108665-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. Hoffmann-La Roche AG (CH) 2022-12-28 EP disclosed
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
EP-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR 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-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR CNR2, CNR1, P2RY2 CYP2C19 613/4885CYP1A2 317/4885KMT2A 1953/4885
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor CNR2, CNR1, P2RY2 CYP2C19 613/4885CYP1A2 317/4885KMT2A 1953/4885

“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.