SCHEMBL4417588

SCHEMBL4417588

Nc1ncnc2cc(C=CC(=O)O)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
HCAR2 Q8TDS4 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT2 Q8IXJ6 3/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
MAP3K8 P41279 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LIMK1 P53667 6/20 0.33
PLAU P00749 1/20 0.33
RAB9A P51151 1/20 0.33
STK17A Q9UEE5 2/20 0.31
MAP4K4 O95819 2/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL4417586 1.00 IKBKB (0.46) IKBKBHCAR2MAPK1KMT2ASIRT2
SCHEMBL4431418 0.79 STK17B (0.43) MAP3K8STK17ASTK17B
SCHEMBL4431422 0.79 STK17B (0.43) MAP3K8STK17ASTK17B
SCHEMBL4422587 0.78 MAPK1 (0.35) HCAR2MAPK1KMT2ASIRT2SIRT1
SCHEMBL4422583 0.78 MAPK1 (0.35) HCAR2MAPK1KMT2ASIRT2SIRT1
SCHEMBL4419732 0.70 EGFR (0.38) KMT2ANPSR1
Hydrochloric Acid SCHEMBL4432011 0.69 EGFR (0.37) KMT2ANPSR1AURKA
Hydrochloric Acid SCHEMBL4432013 0.69 EGFR (0.37) KMT2ANPSR1AURKA
SCHEMBL6781682 0.69 AURKA (0.44) MAPK1KMT2ANPSR1RAB9AAURKA
SCHEMBL4909510 0.68 RAB9A (0.34) HCAR2MAPK1KMT2APLAURAB9A

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 5 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

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 IKBKB 3127/4885HCAR2 1509/4885MAPK1 813/4885

“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.