SCHEMBL3429416

SCHEMBL3429416

COc1cc(OC[C@H]2CCCN2C(=O)O)c2c(=O)n(COC(=O)C(C)(C)C)cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.36
TNF P01375 4/20 0.32
DAGLB Q8NCG7 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
ADAM17 P78536 1/20 0.31
P2RX3 P56373 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
SCHEMBL3429086 0.90 ESR2 (0.36) ALDH1A1
SCHEMBL3429735 0.89 CHRNB2 (0.38) ALDH1A1
SCHEMBL6019927 0.82 PRMT5 (0.40) F2RL3
SCHEMBL3177738 0.80 TNF (0.39) TNFKMT2AHDAC6
SCHEMBL3280568 0.79 SRC (0.43) TNFP2RX3
SCHEMBL4038428 0.77 RAF1 (0.41) TNF
SCHEMBL2799360 0.76 EGFR (0.39) F2RL3DAGLBKMT2A
SCHEMBL3428136 0.76 F2RL3 (0.38) F2RL3DAGLB
SCHEMBL4036427 0.76 EGFR (0.41)
SCHEMBL1012831 0.75 ESR2 (0.52) TNFKMT2AHPGDHDAC6

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-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
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 F2RL3 3957/4885TNF 3266/4885DAGLB 4659/4885

“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.