SCHEMBL20089043

SCHEMBL20089043

O=[N+]([O-])c1c[nH]nc1N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPK1 P28482 5/20 0.53
MAPT P10636 5/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
POLB P06746 3/20 0.53
CYP2C9 P11712 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 3/20 0.50
CYP2D6 P10635 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTSB P07858 1/20 0.41
AR P10275 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41

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
SCHEMBL20088992 0.98 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTCYP1A2CYP2C19
SCHEMBL9762450 0.85 CYP1A2 (0.56) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL20086115 0.70 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTCYP1A2CYP2C19
SCHEMBL4284498 0.70 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL16882345 0.69 CYP1A2 (0.39) ALDH1A1MAPK1MAPTCYP1A2CYP2C19
SCHEMBL12242070 0.69 HTT (0.35) ALDH1A1MAPK1MAPTCYP1A2CYP2C19
SCHEMBL6708175 0.69 CYP1A2 (1.00) ALDH1A1MAPK1MAPTCYP1A2CYP2C19
SCHEMBL5795083 0.69 CYP1A2 (1.00) ALDH1A1MAPK1MAPTCYP1A2CYP2C19
SCHEMBL2416386 0.69 ALDH1A1 (1.00) ALDH1A1MAPK1MAPTCYP1A2CYP2C19
SCHEMBL20086116 0.69 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTCYP1A2CYP2C19

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
CN-110234637-A Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2019-09-13 CN 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

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 ALDH1A1 1076/4885MAPK1 432/4885MAPT 2634/4885
US-20230115275-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 1076/4885MAPK1 432/4885MAPT 2634/4885
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 1076/4885MAPK1 432/4885MAPT 2634/4885
US-11939317-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1076/4885MAPK1 432/4885MAPT 2634/4885
US-10414753-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1076/4885MAPK1 432/4885MAPT 2634/4885
US-11530194-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1076/4885MAPK1 432/4885MAPT 2634/4885
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 1076/4885MAPK1 432/4885MAPT 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.