SCHEMBL7225895

SCHEMBL7225895

CC(=O)Oc1cc2ncnc(O)c2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.49
PTPN1 P18031 1/20 0.46
KDM1A O60341 1/20 0.44
PDGFRB P09619 1/20 0.44
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
MAOB P27338 1/20 0.43
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 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
SCHEMBL4224921 0.87 EGFR (0.48) EGFRPTPN1KDM1APDGFRBIRAK1
SCHEMBL10290852 0.87 EGFR (0.48) EGFRPTPN1KDM1APDGFRBIRAK1
SCHEMBL1011705 0.85 KDM1A (0.58) EGFRKDM1AIRAK1IRAK4ELANE
SCHEMBL14417895 0.85 KDM1A (0.58) EGFRKDM1AIRAK1IRAK4ELANE
Hydrochloric Acid SCHEMBL28084909 0.84 EGFR (0.58) EGFRKDM1APDGFRBIRAK1IRAK4
SCHEMBL24714036 0.83 ENPP1 (0.48) EGFRPDGFRB
SCHEMBL13404528 0.83 EGFR (0.71) EGFRIRAK4LCK
SCHEMBL6988100 0.80 EGFR (0.53) EGFRKDM1AIRAK1IRAK4MAOB
SCHEMBL217338 0.80 PDE10A (0.52) EGFRIRAK4LCK
SCHEMBL4226040 0.80 IP6K1 (0.57) EGFRPTPN1KDM1AMAOBELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885PTPN1 297/4885KDM1A 3048/4885

“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.