SCHEMBL15591842

SCHEMBL15591842

COc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.89
KDR P35968 9/20 0.84
SRC P12931 7/20 0.84
EPHB4 P54760 2/20 0.84
BRAF P15056 2/20 0.84
CIT O14578 1/20 0.84
GAK O14976 1/20 0.84
EPHB6 O15197 1/20 0.84
ABCC4 O15439 1/20 0.84
DAPK3 O43293 1/20 0.84
RIPK2 O43353 1/20 0.84
NR1I2 O75469 1/20 0.84
RPS6KA4 O75676 1/20 0.84
STK17B O94768 1/20 0.84
STK10 O94804 1/20 0.84
PRKD3 O94806 1/20 0.84
ABCB11 O95342 1/20 0.84
MAP4K4 O95819 1/20 0.84
CHEK2 O96017 1/20 0.84
ABL1 P00519 1/20 0.84

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
SCHEMBL19154598 0.93 SRC (0.80) EGFRKDRSRCEPHB4BRAF
SCHEMBL1734701 0.92 EGFR (1.00) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL465143 0.92 EGFR (1.00) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL29351046 0.92 EGFR (1.00) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL29351336 0.92 EGFR (1.00) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL7866 0.92 EGFR (1.00) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL2770155 0.91 EGFR (0.98) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL30887946 0.91 EGFR (0.98) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL11776 0.91 EGFR (0.98) EGFRKDRSRCEPHB4BRAF
Gefitinib SCHEMBL29371159 0.91 EGFR (0.98) EGFRKDRSRCEPHB4BRAF

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
EP-3092243-B1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2019-06-19 EP disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-9220696-B2 Pharmaceutical combinations for treatment of specific cancers ARDEA BIOSCIENCES, INC. (US) 2015-12-29 US disclosed
US-20140080783-A1 PHARMACEUTICAL COMBINATIONS FOR TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2014-03-20 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 (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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 EGFR 60/4885KDR 882/4885SRC 896/4885
US-20140080783-A1 PHARMACEUTICAL COMBINATIONS FOR TREATMENT OF SPECIFIC CANCERS TP53, KRAS, PAICS EGFR 54/4885KDR 3900/4885SRC 370/4885

“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.