SCHEMBL4497352

SCHEMBL4497352

COc1cc2c(Nc3cccc4c3OCO4)c(C#N)cnc2cc1OC[C@H](O)CN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.55
KDR P35968 1/20 0.55
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
MAP2K1 Q02750 7/20 0.53
FYN P06241 1/20 0.53
RAF1 P04049 2/20 0.52
MAPK3 P27361 1/20 0.51
MAPK1 P28482 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
SCHEMBL4498663 0.91 SRC (0.46) SRCKDRABL1BCRMAP2K1
SCHEMBL5724110 0.88 SRC (0.54) SRCABL1BCRMAP2K1
Hydrochloric Acid SCHEMBL5222732 0.84 SRC (0.74) SRCKDR
SCHEMBL4498596 0.82 SRC (0.55) SRCABL1BCRMAP2K1
SCHEMBL5723525 0.81 SRC (0.62) SRCKDRABL1BCR
SCHEMBL4489309 0.81 EGFR (0.58) SRCKDRABL1BCRMAP2K1
SCHEMBL4493118 0.81 SRC (0.59) SRCKDRABL1BCRFYN
SCHEMBL4497195 0.80 EGFR (0.57) SRCKDRABL1BCRMAP2K1
SCHEMBL6596134 0.80 SRC (0.58) SRCKDRABL1BCRFYN
SCHEMBL4489459 0.80 SRC (0.56) 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 9/4885KDR 186/4885ABL1 1/4885

“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.