SCHEMBL9762450

SCHEMBL9762450

O=[N+]([O-])c1c[nH]nc1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.56
CYP2C9 P11712 4/20 0.56
MAPT P10636 9/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP2C19 P33261 2/20 0.47
PKM P14618 2/20 0.46
CTSB P07858 1/20 0.46
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20089043 0.85 ALDH1A1 (0.53) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL20088992 0.83 ALDH1A1 (0.55) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL9761405 0.76 MAPT (0.46) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL20086119 0.73 CYP1A2 (0.55) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL9761426 0.73 CYP1A2 (0.55) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL12993 0.73 ALDH1A1 (0.51) MAPTALDH1A1PKMHTTKMT2A
SCHEMBL15186307 0.73 LRRK2 (0.45) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL12244483 0.72 NUDT1 (0.41) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL3403145 0.72 CYP1A2 (0.61) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL2713198 0.72 CYP1A2 (0.61) CYP1A2CYP2C9MAPTALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212523-B1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2026-05-06 EP disclosed
US-11939317-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2024-03-26 US disclosed
EP-4212523-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-07-19 EP disclosed
EP-4212523-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-07-19 EP disclosed
US-20230115275-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2023-04-13 US disclosed
EP-3532465-B1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2023-03-01 EP disclosed
CN-115531387-A Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-12-30 CN disclosed
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
CN-110234637-B Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-11-01 CN disclosed
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-07-15 US disclosed
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-07-15 US disclosed
US-10947216-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-03-16 US disclosed
US-10947216-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-03-16 US disclosed
US-10414753-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-10414753-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
WO-2018081294-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING MIDCAP FINANCIAL TRUST 2018-04-26 US disclosed
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING MIDCAP FINANCIAL TRUST 2018-04-26 US disclosed
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 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 (7 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-10947216-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 CYP1A2 3695/4885CYP2C9 3985/4885MAPT 2634/4885
US-20230115275-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 CYP1A2 3695/4885CYP2C9 3985/4885MAPT 2634/4885
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 CYP1A2 3695/4885CYP2C9 3985/4885MAPT 2634/4885
US-11939317-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 CYP1A2 3695/4885CYP2C9 3985/4885MAPT 2634/4885
US-10414753-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 CYP1A2 3695/4885CYP2C9 3985/4885MAPT 2634/4885
US-11530194-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 CYP1A2 3695/4885CYP2C9 3985/4885MAPT 2634/4885
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 CYP1A2 3695/4885CYP2C9 3985/4885MAPT 2634/4885

“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.