SCHEMBL1734701

SCHEMBL1734701

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
KDR P35968 3/20 1.00
BRAF P15056 2/20 1.00
EPHB4 P54760 2/20 1.00
FLT4 P35916 2/20 1.00
CIT O14578 1/20 1.00
GAK O14976 1/20 1.00
EPHB6 O15197 1/20 1.00
ABCC4 O15439 1/20 1.00
DAPK3 O43293 1/20 1.00
RIPK2 O43353 1/20 1.00
NR1I2 O75469 1/20 1.00
RPS6KA4 O75676 1/20 1.00
STK17B O94768 1/20 1.00
STK10 O94804 1/20 1.00
PRKD3 O94806 1/20 1.00
ABCB11 O95342 1/20 1.00
MAP4K4 O95819 1/20 1.00
CHEK2 O96017 1/20 1.00
ABL1 P00519 1/20 1.00

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
Gefitinib SCHEMBL7866 1.00 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL465143 1.00 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL29351336 1.00 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL29351046 1.00 EGFR (1.00) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL28098790 0.99 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL29371159 0.99 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL2770155 0.99 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL28097850 0.99 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL11776 0.99 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4
Gefitinib SCHEMBL30887946 0.99 EGFR (0.98) EGFRKDRBRAFEPHB4FLT4

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-8318932-B2 Process for producing 4-aminoquinazoline compound UBE INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
EP-1481971-B1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES (JP) 2011-11-16 EP disclosed
WO-2011131610-A1 HEAT TRANSFER MEDIUM BASED ON SULPHUR AND USE OF THE HEAT TRANSFER MEDIUM SIEMENS AKTIENGESELLSCHAFT (DE) 2011-10-27 WO disclosed
US-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2009-07-02 US disclosed
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2008-07-24 US disclosed
US-20050130995-A1 Chlorinating quinazolin-4-one in solvent in presence of a base; then reacting with an amine compound UBE INDUSTRIES, LTD. (JP) 2005-06-16 US disclosed
EP-1481971-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND Ube Industries, Ltd. (JP) 2004-12-01 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 (3 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-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 EGFR 1101/4885KDR 734/4885BRAF 652/4885
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 EGFR 1101/4885KDR 734/4885BRAF 652/4885
US-20050130995-A1 Chlorinating quinazolin-4-one in solvent in presence of a base; then reacting with an amine compound HRH4, HRH3, H1-4 EGFR 543/4885KDR 1055/4885BRAF 257/4885

“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.