SCHEMBL4022956

SCHEMBL4022956

Fc1cc(Cl)ccc1Oc1ncnc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.65
TRPA1 O75762 5/20 0.52
KDR P35968 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LCK P06239 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MRGPRX1 Q96LB2 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL27482627 0.79 TRPA1 (0.51) EGFRTRPA1KDRLCKKDM4E
SCHEMBL4691232 0.78 TRPA1 (0.62) EGFRTRPA1KDRLCKFGFR1
SCHEMBL4023047 0.78 TRPA1 (0.62) EGFRTRPA1KDRLCKFGFR1
SCHEMBL4028296 0.78 TRPA1 (0.61) EGFRTRPA1KDRLCKFGFR1
SCHEMBL3635988 0.76 EGFR (0.62) EGFRKDRMEN1NPC1RAB9A
SCHEMBL7214411 0.75 KDR (0.67) EGFRTRPA1KDRLCKFGFR1
SCHEMBL10512809 0.73 SAE1 (0.51) EGFRKDRNPC1RAB9ALCK
SCHEMBL7455479 0.72 KDR (0.68) EGFRTRPA1KDRLCKFGFR1
SCHEMBL4364907 0.72 CYP1A2 (0.59) EGFRKDRMEN1NPC1RAB9A
SCHEMBL1098713 0.72 EGFR (0.55) EGFRKDRMEN1NPC1RAB9A

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
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI EGFR 1257/4885TRPA1 4555/4885KDR 2563/4885

“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.