SCHEMBL4421990

SCHEMBL4421990

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1NCCN

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.56
EGFR P00533 7/20 0.50
KDR P35968 6/20 0.50
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
CSF1R P07333 1/20 0.43
FERMT2 Q96AC1 1/20 0.43
MET P08581 4/20 0.43
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
BRD4 O60885 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB4 Q15303 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL5499555 0.88 TRPA1 (0.52) TRPA1EGFRKDRFGFR1FLT1
SCHEMBL5497624 0.81 KDM4E (0.56) TRPA1EGFRKDRFGFR1FLT1
SCHEMBL4422271 0.81 QPCT (0.46) TRPA1EGFRKDRFGFR1FLT1
SCHEMBL4419758 0.79 TRPA1 (0.62) TRPA1EGFRKDRMETRET
SCHEMBL4424729 0.76 TRPA1 (0.57) TRPA1EGFRKDRFLT1CSF1R
SCHEMBL4419720 0.76 EGFR (0.48) TRPA1EGFRKDRFLT1CSF1R
SCHEMBL5492065 0.75 TRPA1 (0.60) TRPA1EGFRKDRFGFR1FLT1
SCHEMBL4423983 0.75 TRPA1 (0.60) TRPA1EGFRKDRFGFR1FLT1
SCHEMBL4430345 0.74 PDE5A (0.50) EGFRKDRFGFR1FLT1FERMT2
SCHEMBL4431166 0.74 TRPA1 (0.63) TRPA1EGFRKDRFLT1MET

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 9 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
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.