SCHEMBL3429136

SCHEMBL3429136

COc1cc(OC)c2c(O)ncnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
EGFR P00533 3/20 0.40
BRAF P15056 2/20 0.40
TNNI3K Q59H18 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LCK P06239 2/20 0.39
PDE10A Q9Y233 1/20 0.38
PDGFRB P09619 2/20 0.38
CSF1R P07333 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38

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
SCHEMBL4295596 0.84 ESR1 (0.47) SRCEGFRALDH1A1CYP1A1CYP1B1
SCHEMBL15900305 0.81 EGFR (0.39) SRCEGFRCYP1A1CYP1B1CYP1A2
SCHEMBL24393041 0.81 SRC (0.50) SRCPDE3BPDE3AEGFRBRAF
Hydrochloric Acid SCHEMBL28048193 0.80 EGFR (0.38) SRCEGFRLCKCYP1A1CYP1B1
SCHEMBL1803647 0.79 SRC (0.56) SRCPDE3BPDE3AEGFRBRAF
SCHEMBL30353909 0.79 SRC (0.56) SRCPDE3BPDE3AEGFRBRAF
SCHEMBL24391744 0.77 SRC (0.60) SRCEGFRBRAFTNNI3KALDH1A1
SCHEMBL2204818 0.75 ESR2 (0.45) SRCPDE3BPDE3AALDH1A1PDGFRB
SCHEMBL3429487 0.74 EGFR (0.51) EGFRALDH1A1CYP3A4MAPK1KDM4E
SCHEMBL21886769 0.72 LCK (0.41) SRCEGFRLCKPDE10APDGFRB

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
CN-1809557-B Compound ASTRAZENECA AB 2012-07-04 CN disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
CN-1809557-A Compound ASTRAZENECA AB (SE) 2006-07-26 CN 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SRC 2439/4885PDE3B 1638/4885PDE3A 1302/4885

“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.