SCHEMBL4418189

SCHEMBL4418189

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1C#CCCCCn1ccnc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
EGFR P00533 6/20 0.39
KDR P35968 5/20 0.39
MET P08581 3/20 0.35
EPHB4 P54760 2/20 0.35
PLK4 O00444 1/20 0.35
GAK O14976 1/20 0.35
EPHB6 O15197 1/20 0.35
RIPK2 O43353 1/20 0.35
ERN1 O75460 1/20 0.35
STK10 O94804 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
ERBB2 P04626 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
YES1 P07947 1/20 0.35
LYN P07948 1/20 0.35

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
SCHEMBL4427782 0.84 KDR (0.45) TRPA1EGFRKDRMETEPHB4
SCHEMBL4416517 0.83 KDM4E (0.43) TRPA1EGFRKDRMETEPHB4
SCHEMBL4430373 0.80 ALDH1A1 (0.36) EGFRMAP4K4SRCHDAC3HDAC4
SCHEMBL4422009 0.78 TRPA1 (0.52) TRPA1EGFRKDRMETLCK
SCHEMBL4421028 0.77 TRPA1 (0.48) TRPA1EGFRKDRMETEPHB4
SCHEMBL4686840 0.76 TRPA1 (0.49) TRPA1EGFRKDRMETLCK
SCHEMBL6776477 0.75 TRPA1 (0.40) TRPA1EGFRKDRMETSRC
Methylamine SCHEMBL6776480 0.75 AXL (0.41) TRPA1EGFRKDRMETAXL
SCHEMBL6776483 0.72 TRPA1 (0.39) TRPA1EGFRKDRMETAXL
SCHEMBL4419758 0.69 TRPA1 (0.62) TRPA1EGFRKDRMETLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 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-20030225111-A1 Therapy VEGFA, AQP1, FLT1 TRPA1 2378/4885EGFR 1578/4885KDR 39/4885

“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.