SCHEMBL4377794

SCHEMBL4377794

COc1cc2c(Nc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.63
▸ EGFR P00533 15/20 0.57
▸ SRC P12931 4/20 0.57
▸ KDR P35968 8/20 0.56
▸ CIT O14578 1/20 0.54
▸ GAK O14976 1/20 0.54
▸ EPHB6 O15197 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ RIPK2 O43353 1/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ RPS6KA4 O75676 1/20 0.54
▸ STK17B O94768 1/20 0.54
▸ STK10 O94804 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ ERBB2 P04626 1/20 0.54

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
SCHEMBL4380962 0.92 EGFR (0.64) RETEGFRKDRERBB2FLT4
SCHEMBL4373829 0.91 EGFR (0.67) RETEGFRSRCKDRCIT
Hydrochloric Acid SCHEMBL4373692 0.91 EGFR (0.66) RETEGFRSRCKDRCIT
SCHEMBL4374281 0.88 RET (0.61) RETEGFRSRCKDRCIT
SCHEMBL4378628 0.87 KDR (0.70) RETEGFRKDREPHB4
SCHEMBL4374222 0.86 KDR (0.70) RETEGFRKDREPHB4
SCHEMBL4374345 0.85 RET (0.62) RETEGFRSRCKDRCIT
SCHEMBL4371016 0.85 RET (0.69) RETEGFRSRCKDRCIT
SCHEMBL4381867 0.85 EGFR (0.53) RETEGFRSRCKDRCIT
SCHEMBL4377750 0.84 KDR (0.65) RETEGFRSRCKDRCIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 — — US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 — — US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 — — US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 — — EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 — — EP 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 (2 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR RET 637/4885EGFR 500/4885SRC 1517/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 RET 1047/4885EGFR 549/4885SRC 1276/4885

“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.

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