SCHEMBL4426096

SCHEMBL4426096

COc1cc2c(N)ncnc2cc1OCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.59
EHMT2 Q96KQ7 6/20 0.55
EHMT1 Q9H9B1 6/20 0.55
SPIN1 Q9Y657 2/20 0.50
BRAF P15056 2/20 0.50
KDR P35968 2/20 0.50
RAF1 P04049 1/20 0.50
TLR9 Q9NR96 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
PDGFRB P09619 2/20 0.49
KIT P10721 1/20 0.49
EGFR P00533 1/20 0.49
SRC P12931 2/20 0.48

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
SCHEMBL4423943 0.89 EHMT2 (0.59) RETEHMT2EHMT1SPIN1KDR
SCHEMBL4426202 0.88 EHMT2 (0.70) RETEHMT2EHMT1SPIN1KDR
SCHEMBL4024046 0.87 ENPP1 (0.59) RETEHMT2EHMT1BRAFKDR
SCHEMBL4431962 0.87 EHMT2 (0.69) RETEHMT2EHMT1SPIN1KDR
SCHEMBL4430442 0.87 EHMT2 (0.69) RETEHMT2EHMT1SPIN1KDR
SCHEMBL4422710 0.85 SRC (0.65) RETBRAFKDRKITEGFR
SCHEMBL4428694 0.85 SRC (0.65) RETBRAFKDRKITEGFR
SCHEMBL29540227 0.85 SRC (0.65) RETBRAFKDRKITEGFR
SCHEMBL4431419 0.82 EHMT2 (0.61) RETEHMT2EHMT1SPIN1KDR
SCHEMBL4419423 0.82 EHMT2 (0.61) RETEHMT2EHMT1SPIN1KDR

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 8 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
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

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 RET 3365/4885EHMT2 3260/4885EHMT1 1608/4885

“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.