SCHEMBL25821864

SCHEMBL25821864

COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.64
▸ BTK Q06187 1/20 0.64
▸ ULK1 O75385 3/20 0.50
▸ ALK Q9UM73 2/20 0.47
▸ CDK19 Q9BWU1 1/20 0.47
▸ TTK P33981 1/20 0.45
▸ MAP4K1 Q92918 1/20 0.45
▸ AXL P30530 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 0.42

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
SCHEMBL25001951 0.88 EGFR (0.66) EGFRBTKULK1ALKCDK19
SCHEMBL25001489 0.87 EGFR (0.84) EGFRBTKULK1ALKCDK19
SCHEMBL25001794 0.87 EGFR (0.84) EGFRBTKULK1ALKMAP4K1
SCHEMBL25001760 0.86 EGFR (0.68) EGFRBTKULK1ALKTTK
SCHEMBL30748473 0.86 EGFR (0.68) EGFRBTKULK1ALKTTK
SCHEMBL25001766 0.85 ULK1 (0.70) EGFRBTKULK1ALKMAP4K1
SCHEMBL25001487 0.85 EGFR (0.76) EGFRBTKULK1ALKCDK19
SCHEMBL25002762 0.85 EGFR (0.65) EGFRBTKULK1ALKCDK19
SCHEMBL25001761 0.85 EGFR (0.61) EGFRBTKULK1ALKCDK19
SCHEMBL25824760 0.85 EGFR (0.62) EGFRBTKULK1ALKCDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — 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 (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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885BTK 265/4885ULK1 1059/4885

“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.

Send feedback