SCHEMBL20338635

SCHEMBL20338635

COc1cc2cnsc2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.44
XPO1 O14980 1/20 0.41
ALDH1A1 P00352 2/20 0.39
STING1 Q86WV6 3/20 0.38
MAPT P10636 2/20 0.37
PRNP P04156 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HTR2A P28223 6/20 0.35
TAAR1 Q96RJ0 3/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
JAK2 O60674 1/20 0.34

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
SCHEMBL25346900 0.93 AXL (0.47) AXLXPO1ALDH1A1STING1MAPT
SCHEMBL19435570 0.75 XPO1 (0.41) AXLXPO1ALDH1A1STING1P2RX3
SCHEMBL30744202 0.75 TRPM5 (0.42) XPO1ALDH1A1STING1GSK3B
SCHEMBL23501401 0.75 TRPM5 (0.42) XPO1ALDH1A1STING1GSK3B
SCHEMBL28451058 0.72 TRPM5 (0.41) AXLXPO1STING1CDC7PLK4
SCHEMBL17813001 0.71 AXL (0.53) AXLALDH1A1MAPTPRNPNPSR1
SCHEMBL17913390 0.71 AXL (0.53) AXLALDH1A1MAPTPRNPNPSR1
SCHEMBL30081128 0.71 AXL (0.53) AXLALDH1A1MAPTPRNPNPSR1
SCHEMBL20557882 0.69 HTR2A (0.44) AXLALDH1A1STING1MAPTGRIN2D
SCHEMBL30422953 0.69 HTR2A (0.44) AXLALDH1A1STING1MAPTGRIN2D

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
CN-110114343-B Pyrazolopyrimidine compounds and methods of use thereof 豪夫迈·罗氏有限公司 2022-09-06 CN disclosed
US-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-26 US disclosed
US-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-26 US disclosed
EP-3562809-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
EP-3562809-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-11-14 US disclosed
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-11-14 US disclosed
EP-3562809-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2019-11-06 EP disclosed
WO-2018122212-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-07-05 WO disclosed
WO-2018122212-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-07-05 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-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof JAK2, JAK1, JAK3 AXL 307/4885XPO1 1578/4885ALDH1A1 819/4885
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 AXL 307/4885XPO1 1578/4885ALDH1A1 819/4885

“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.