SCHEMBL4424448

SCHEMBL4424448

[c]1ncc2cc3ncncc3cc2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.43
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
FGFR4 P22455 1/20 0.32
TDO2 P48775 2/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL8874014 0.81 EGFR (0.58) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL4427352 0.76
SCHEMBL157707 0.75 EGFR (0.35) EGFR
SCHEMBL4416476 0.74 NPC1 (0.44)
SCHEMBL159794 0.74 EGFR (0.34) EGFR
SCHEMBL3525983 0.72 ALDH1A1 (0.44)
SCHEMBL4419089 0.72 EGFR (0.42) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL31124778 0.69 EGFR (0.65) EGFRPIK3CDPIK3CATDO2IMPDH2
Hydroquinone SCHEMBL8878778 0.69 EGFR (0.52) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL4523676 0.69 EGFR (0.47) EGFRPIK3CDPIK3CAFGFR4TDO2

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 7 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-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-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-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 EGFR 1578/4885PIK3CD 4165/4885PIK3CA 3833/4885

“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.