SCHEMBL13858211

SCHEMBL13858211

CO[C@@H]1CO[C@@H]2[C@@H]1OC[C@@H]2Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 15/20 1.00
▸ ERBB4 Q15303 3/20 0.74
▸ GAK O14976 2/20 0.74
▸ ABL1 P00519 2/20 0.74
▸ LCK P06239 2/20 0.74
▸ MET P08581 2/20 0.74
▸ PHKG2 P15735 2/20 0.74
▸ BLK P51451 2/20 0.74
▸ IRAK1 P51617 2/20 0.74
▸ DYRK1A Q13627 2/20 0.74
▸ HIPK4 Q8NE63 2/20 0.74
▸ EPHA6 Q9UF33 2/20 0.74
▸ CIT O14578 1/20 0.74
▸ EPHB6 O15197 1/20 0.74
▸ RIPK2 O43353 1/20 0.74
▸ STK10 O94804 1/20 0.74
▸ LYN P07948 1/20 0.74
▸ RET P07949 1/20 0.74
▸ CHRM2 P08172 1/20 0.74

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
SCHEMBL13858212 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKABL1
SCHEMBL13858210 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKABL1
SCHEMBL15929516 0.93 EGFR (0.86) EGFRERBB2ERBB4GAKABL1
SCHEMBL867638 0.87 EGFR (0.85) EGFRERBB2ERBB4GAKABL1
SCHEMBL867639 0.87 EGFR (0.85) EGFRERBB2ERBB4GAKABL1
SCHEMBL29623461 0.86 EGFR (0.83) EGFRERBB2ERBB4GAKABL1
SCHEMBL232499 0.86 EGFR (0.83) EGFRERBB2ERBB4GAKABL1
SCHEMBL1191743 0.86 EGFR (0.83) EGFRERBB2ERBB4GAKABL1
SCHEMBL185664 0.86 EGFR (0.83) EGFRERBB2ERBB4GAKABL1
SCHEMBL1191741 0.86 EGFR (0.83) EGFRERBB2ERBB4GAKABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 — — US claimed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 — — US claimed
EP-2709999-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE Newgen Therapeutics, Inc. (US) 2014-03-26 — — EP claimed
WO-2012158979-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2012-11-22 — — WO claimed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 — — US disclosed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 — — US disclosed
EP-2709999-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE Newgen Therapeutics, Inc. (US) 2014-03-26 — — EP disclosed
WO-2012158979-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2012-11-22 — — 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-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE ABL1, ERBB4, ERBB2 EGFR 5/4885ERBB2 3/4885ERBB4 2/4885

“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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