SCHEMBL25001448

SCHEMBL25001448

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)S(C)(=O)=O)CC3)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.58
▸ MET P08581 2/20 0.52
▸ PLK1 P53350 2/20 0.46
▸ INSR P06213 5/20 0.45
▸ ALK Q9UM73 5/20 0.45
▸ IGF1R P08069 4/20 0.45
▸ PTK2 Q05397 2/20 0.44
▸ BTK Q06187 2/20 0.44
▸ BMPR1B O00238 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ STK25 O00506 1/20 0.43
▸ RIOK3 O14730 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CASK O14936 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ GAK O14976 1/20 0.43
▸ DCLK1 O15075 1/20 0.43
▸ MUSK O15146 1/20 0.43
▸ EPHB6 O15197 1/20 0.43
▸ PDPK1 O15530 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
SCHEMBL30860746 0.93 EGFR (0.54) EGFRMETPLK1PTK2BTK
SCHEMBL30860424 0.92 EGFR (0.56) EGFRMETPLK1INSRALK
SCHEMBL30860759 0.92 EGFR (0.56) EGFRMETPTK2BTKCHEK1
SCHEMBL30860400 0.90 EGFR (0.54) EGFRMETPLK1INSRALK
SCHEMBL25001806 0.90 EGFR (0.49) EGFRMETALKBTKMAP4K1
SCHEMBL25001385 0.90 EGFR (0.60) EGFRINSRALKBTKULK1
SCHEMBL25002690 0.89 EGFR (0.57) EGFRPLK1INSRALKIGF1R
SCHEMBL30860273 0.87 EGFR (0.53) EGFRMETPTK2BTKCHEK1
SCHEMBL30860752 0.86 EGFR (0.55) EGFRMETPLK1PTK2BTK
SCHEMBL30860750 0.86 EGFR (0.55) EGFRMETPLK1INSRALK

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 3 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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP 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 1/4885MET 10/4885PLK1 87/4885

“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