SCHEMBL13728964

SCHEMBL13728964

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(P(C)(C)=O)cc3OC)ncc2Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.81
PLK4 O00444 1/20 0.73
GAK O14976 1/20 0.73
NUAK1 O60285 1/20 0.73
JAK2 O60674 1/20 0.73
FLT3 P36888 1/20 0.73
BLK P51451 1/20 0.73
BMX P51813 1/20 0.73
JAK3 P52333 1/20 0.73
CTSC P53634 1/20 0.73
PTK2 Q05397 1/20 0.73
BTK Q06187 1/20 0.73
ITK Q08881 1/20 0.73
ERBB4 Q15303 1/20 0.73
DCLK3 Q9C098 1/20 0.73
NUAK2 Q9H093 1/20 0.73
EML4 Q9HC35 1/20 0.73
EIF2AK4 Q9P2K8 1/20 0.73
ALK Q9UM73 1/20 0.73

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
SCHEMBL9893595 0.90 EGFR (1.00) EGFRPLK4GAKNUAK1JAK2
SCHEMBL24784922 0.89 EGFR (0.86) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9893707 0.89 EGFR (1.00) EGFRPLK4GAKNUAK1JAK2
SCHEMBL13729999 0.88 EGFR (0.75) EGFRPLK4GAKNUAK1JAK2
SCHEMBL13729994 0.88 EGFR (0.75) EGFRPLK4GAKNUAK1JAK2
SCHEMBL13832467 0.87 EGFR (0.85) EGFRPLK4GAKNUAK1JAK2
SCHEMBL7611591 0.86 EGFR (0.81) EGFRPLK4GAKNUAK1JAK2
SCHEMBL5585393 0.85 EGFR (1.00) EGFRPLK4GAKNUAK1JAK2
SCHEMBL2718163 0.85 EGFR (1.00) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945476 0.85 EGFR (0.88) EGFRPLK4GAKNUAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US claimed
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 EP disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
EP-2704572-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2015-12-30 EP disclosed
EP-2704572-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2015-12-30 EP disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 US disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 US disclosed
EP-2704572-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
WO-2013169401-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2013-11-14 WO disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
WO-2012151561-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2012-11-08 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 (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-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES BRAF, RAF1, EGFR EGFR 3/4885PLK4 674/4885GAK 80/4885
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 EGFR 1/4885PLK4 1612/4885GAK 118/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 EGFR 1/4885PLK4 1612/4885GAK 118/4885

“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.