SCHEMBL800013

SCHEMBL800013

COc1cc2ncnc(Nc3ccc(F)c(C#N)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.78
SRC P12931 6/20 0.78
KDR P35968 6/20 0.78
FLT4 P35916 2/20 0.78
ERBB2 P04626 2/20 0.78
RET P07949 2/20 0.78
BRAF P15056 2/20 0.78
EPHB4 P54760 2/20 0.78
CIT O14578 1/20 0.78
GAK O14976 1/20 0.78
EPHB6 O15197 1/20 0.78
ABCC4 O15439 1/20 0.78
DAPK3 O43293 1/20 0.78
RIPK2 O43353 1/20 0.78
NR1I2 O75469 1/20 0.78
RPS6KA4 O75676 1/20 0.78
STK17B O94768 1/20 0.78
STK10 O94804 1/20 0.78
PRKD3 O94806 1/20 0.78
ABCB11 O95342 1/20 0.78

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
SCHEMBL11304 0.90 EGFR (0.86) EGFRSRCKDRFLT4ERBB2
SCHEMBL30416288 0.90 EGFR (0.86) EGFRSRCKDRFLT4ERBB2
SCHEMBL22383954 0.90 EGFR (0.86) EGFRSRCKDRFLT4ERBB2
Gefitinib SCHEMBL28098790 0.89 EGFR (0.98) EGFRSRCKDRFLT4ERBB2
Gefitinib SCHEMBL2770155 0.89 EGFR (0.98) EGFRSRCKDRFLT4ERBB2
SCHEMBL799681 0.89 EGFR (0.83) EGFRSRCKDRFLT4ERBB2
Gefitinib SCHEMBL29351336 0.88 EGFR (1.00) EGFRSRCKDRFLT4ERBB2
Gefitinib SCHEMBL29351046 0.88 EGFR (1.00) EGFRSRCKDRFLT4ERBB2
SCHEMBL22667930 0.88 EGFR (0.82) EGFRSRCKDRFLT4ERBB2
SCHEMBL1734701 0.88 EGFR (1.00) EGFRSRCKDRFLT4ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673876-B2 Pharmaceutical combinations for treatment of specific cancers ARDEA BIOSCIENCES INC. (US) 2014-03-18 US disclosed
US-8673876-B2 Pharmaceutical combinations for treatment of specific cancers ARDEA BIOSCIENCES INC. (US) 2014-03-18 US disclosed
US-20120071435-A1 PHARMACEUTICAL COMBINATIONS COMPRISING FOR THE TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2012-03-22 US disclosed
US-20120071435-A1 PHARMACEUTICAL COMBINATIONS COMPRISING FOR THE TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2012-03-22 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-20120071435-A1 PHARMACEUTICAL COMBINATIONS COMPRISING FOR THE TREATMENT OF SPECIFIC CANCERS TP53, KRAS, PAICS EGFR 27/4885SRC 236/4885KDR 4037/4885

“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.