SCHEMBL20086019

SCHEMBL20086019

COCCOCCn1cc(NC(=O)c2cccc(Oc3ccncc3)n2)c(-c2ccccn2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.38
FLT3 P36888 1/20 0.35
P2RX3 P56373 1/20 0.35
GRM4 Q14833 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
GRM5 P41594 1/20 0.34
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.34
FRK P42685 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1D P48730 1/20 0.34
SLK Q9H2G2 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 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
Formic Acid SCHEMBL28976128 0.97 IRAK4 (0.37) IRAK4FLT3P2RX3GRM4HTR1A
SCHEMBL20086072 0.90 IRAK4 (0.42) IRAK4FLT3GRM4GRM5LMNA
SCHEMBL20086023 0.89 IRAK4 (0.50) IRAK4GRM4
SCHEMBL30051809 0.89 IRAK4 (0.50) IRAK4GRM4
SCHEMBL30062375 0.86 MAPT (0.42) IRAK4GRM4GRM5LMNAKMT2A
Formic Acid SCHEMBL28976193 0.86 IRAK4 (0.47) IRAK4GRM4
SCHEMBL29911652 0.84 IRAK4 (0.40) IRAK4FLT3GRM4MAP4K4EGFR
SCHEMBL30261563 0.83 IRAK4 (0.42) IRAK4FLT3MAP4K4EGFRFRK
SCHEMBL20086064 0.83 IRAK4 (0.42) IRAK4FLT3MAP4K4EGFRFRK
SCHEMBL20086025 0.83 IRAK4 (0.53) IRAK4MAP4K4EGFRFRKMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212523-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-07-19 EP disclosed
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 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-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

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

For each of this compound's patents that has machine-readable text (5 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 IRAK4 4/4885FLT3 116/4885P2RX3 1142/4885
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885FLT3 116/4885P2RX3 1142/4885
US-10414753-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885FLT3 116/4885P2RX3 1142/4885
US-11530194-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885FLT3 116/4885P2RX3 1142/4885
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885FLT3 116/4885P2RX3 1142/4885

“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.