SCHEMBL21544067

SCHEMBL21544067

Oc1cc2ccsc2cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
ALOX15 P16050 1/20 0.37
DYRK1A Q13627 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32

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
SCHEMBL20562357 0.92 CYP2A6 (0.37) CYP2A6ALOX15DYRK1APTPRCPTPN6
SCHEMBL19449875 0.90 CYP2A6 (0.34) CYP2A6ALOX15DYRK1APTPRCPTPN6
SCHEMBL3480312 0.82 CYP2A6 (0.42) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL14496227 0.78 CYP2A6 (0.39) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL13736681 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL31158396 0.75 DYRK1A (0.42) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL5213461 0.75 PKM (0.43) CYP2A6ALOX15DYRK1APTPRCPTPN6
SCHEMBL12403150 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL25948032 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL164774 0.74 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11

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
US-20230203075-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
US-20230203075-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CYP2A6 1164/4885ALOX15 2948/4885DYRK1A 1382/4885
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CYP2A6 1164/4885ALOX15 2948/4885DYRK1A 1382/4885
US-20230203075-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DDT, L3MBTL1, LAGE3 CYP2A6 3752/4885ALOX15 1492/4885DYRK1A 2032/4885

“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.