SCHEMBL23442017

SCHEMBL23442017

COc1cc(N2CCC(N3CCOCC3)CC2)c(-c2cnn(C)c2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
PIK3CD O00329 7/20 0.43
EGFR P00533 4/20 0.43
BTK Q06187 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
IRAK1 P51617 1/20 0.41
ACVR1 Q04771 2/20 0.40
RET P07949 1/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
TTK P33981 1/20 0.38

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
SCHEMBL31285030 1.00 MAPK8 (0.44) MAPK8MAPK9MAPK10PIK3CDEGFR
SCHEMBL22950983 0.92 EGFR (0.45) MAPK8MAPK9MAPK10EGFRACVR1
SCHEMBL22950934 0.91 EGFR (0.45) EGFRACVR1
SCHEMBL22950893 0.90 EGFR (0.51) EGFRACVR1
SCHEMBL29757784 0.90 EGFR (0.51) EGFRACVR1
SCHEMBL22950921 0.90 EGFR (0.47) MAPK10PIK3CDEGFRBTKRET
SCHEMBL24780434 0.89 EGFR (0.44) EGFRIRAK4ACVR1RET
SCHEMBL23759769 0.88 EGFR (0.48) EGFRACVR1RETWNT1GSK3B
SCHEMBL22950966 0.87 EGFR (0.43) EGFRACVR1RET
SCHEMBL28965162 0.85 EGFR (0.41) PIK3CDEGFRBTKRETTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US disclosed
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US disclosed
WO-2021160087-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2021-08-19 WO disclosed
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 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 (1 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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 MAPK8 256/4885MAPK9 68/4885MAPK10 102/4885

“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.