SCHEMBL4498596

SCHEMBL4498596

COc1cc2c(Nc3cccc4c3OCO4)c(C#N)cnc2cc1OC[C@@H](F)CCl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.55
EGFR P00533 7/20 0.52
ERBB2 P04626 7/20 0.52
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
MAP2K1 Q02750 1/20 0.47

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
SCHEMBL4493118 0.88 SRC (0.59) SRCEGFRERBB2ABL1BCR
SCHEMBL6596134 0.87 SRC (0.58) SRCEGFRERBB2ABL1BCR
SCHEMBL5724110 0.87 SRC (0.54) SRCEGFRERBB2ABL1BCR
Hydrochloric Acid SCHEMBL4496561 0.87 SRC (0.57) SRCEGFRERBB2ABL1BCR
SCHEMBL5723525 0.86 SRC (0.62) SRCEGFRERBB2ABL1BCR
SCHEMBL4489309 0.85 EGFR (0.58) SRCEGFRERBB2ABL1BCR
SCHEMBL4489459 0.84 SRC (0.56) SRCEGFRERBB2ABL1BCR
SCHEMBL4497195 0.84 EGFR (0.57) SRCEGFRERBB2ABL1BCR
SCHEMBL4491501 0.82 SRC (0.56) SRCEGFRERBB2ABL1BCR
SCHEMBL4497352 0.82 SRC (0.55) SRCABL1BCRMAP2K1

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 SRC 9/4885EGFR 57/4885ERBB2 12/4885

“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.