SCHEMBL4489309

SCHEMBL4489309

COc1cc2c(Nc3cccc4c3OCO4)c(C#N)cnc2cc1OCCBr

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.58
ERBB2 P04626 8/20 0.58
SRC P12931 11/20 0.57
GAK O14976 1/20 0.52
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
KDR P35968 1/20 0.51
MAP2K1 Q02750 1/20 0.51

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
SCHEMBL4497195 0.96 EGFR (0.57) EGFRERBB2SRCGAKABL1
SCHEMBL5723525 0.92 SRC (0.62) EGFRERBB2SRCABL1BCR
SCHEMBL4493118 0.92 SRC (0.59) EGFRERBB2SRCABL1BCR
SCHEMBL6596134 0.91 SRC (0.58) EGFRERBB2SRCABL1BCR
Hydrochloric Acid SCHEMBL4496561 0.90 SRC (0.57) EGFRERBB2SRCABL1BCR
SCHEMBL4489459 0.88 SRC (0.56) EGFRERBB2SRCABL1BCR
SCHEMBL5724110 0.87 SRC (0.54) EGFRERBB2SRCABL1BCR
SCHEMBL7130437 0.86 SRC (0.54) EGFRERBB2SRCGAKABL1
SCHEMBL5723587 0.85 SRC (0.68) EGFRERBB2SRCGAKABL1
SCHEMBL4491501 0.85 SRC (0.56) EGFRERBB2SRCABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 EGFR 57/4885ERBB2 12/4885SRC 9/4885

“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.