SCHEMBL3521647

SCHEMBL3521647

COc1cc(OC[C@@H]2C[C@H](O)CN2C(=O)CN(C)C)c2c(N(F)c3cccc(Cl)c3)ncnc2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.35
CSF1R P07333 2/20 0.35
GRIN2C Q14957 1/20 0.33
EPHA2 P29317 1/20 0.30
UTS2R Q9UKP6 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30
AVPR2 P30518 1/20 0.30
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
AVPR1B P47901 1/20 0.30

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
SCHEMBL3523934 0.78 EGFR (0.58) EGFREPHA2
SCHEMBL3521877 0.78 EGFR (0.58) EGFREPHA2
SCHEMBL4673010 0.78 EGFR (0.58) EGFREPHA2
SCHEMBL1675992 0.78 EGFR (0.58) EGFREPHA2
SCHEMBL4729876 0.78 EGFR (0.58) EGFREPHA2
SCHEMBL6405839 0.72 EGFR (0.49) EGFREPHA2
SCHEMBL6407787 0.71 EGFR (0.47) EGFRCSF1RLMNAMAPK1
SCHEMBL3519725 0.70 EGFR (0.60) EGFR
SCHEMBL3523105 0.70 EGFR (0.60) EGFR
SCHEMBL4732808 0.70 EGFR (0.60) EGFR

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-7659279-B2 2-{(2S)-2-[({4-[3-Chloro-4-fluoroanilino]-7-methoxyquinazolin-5-yl}oxy)methyl]pyrrolidin-1-yl}-2-oxoethanol; epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; breast, colorectal and head and neck cancer ASTRAZENECA AB (SE) 2010-02-09 US disclosed
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer ASTRAZENECA AB (SE) 2006-09-21 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-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer EGFR, ERBB2, ERBB4 EGFR 1/4885CSF1R 1149/4885GRIN2C 1978/4885

“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.