SCHEMBL13832189

SCHEMBL13832189

COc1ccc([N+](=O)[O-])cc1Nc1ncc(Cl)c(Nc2cccc(C)c2P(C)(C)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.55
ALK Q9UM73 9/20 0.55
INSR P06213 7/20 0.55
IGF1R P08069 7/20 0.55
MAP4K1 Q92918 8/20 0.51
EGFR P00533 2/20 0.49

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
SCHEMBL13832205 0.87 ALK (0.67) ZAP70ALKINSRIGF1RMAP4K1
SCHEMBL13832187 0.86 ALK (0.58) ALKINSRIGF1RMAP4K1EGFR
SCHEMBL2594892 0.81 ULK1 (0.65) ZAP70ALKINSRIGF1RMAP4K1
SCHEMBL13727866 0.80 EGFR (0.67) ALKINSREGFR
SCHEMBL17792883 0.80 ZAP70 (0.57) ZAP70ALKINSRIGF1REGFR
SCHEMBL14225903 0.79 ALK (0.58) ZAP70ALKINSRIGF1RMAP4K1
SCHEMBL24940958 0.77 ALK (0.71) ALKINSRIGF1RMAP4K1EGFR
SCHEMBL13832182 0.77 ALK (0.53) ZAP70ALKINSRIGF1RMAP4K1
SCHEMBL30631286 0.75 ZAP70 (0.67) ZAP70ALKINSRIGF1RMAP4K1
SCHEMBL2589418 0.75 ZAP70 (0.67) ZAP70ALKINSRIGF1RMAP4K1

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-9834571-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-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
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 US 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
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 ZAP70 547/4885ALK 161/4885INSR 856/4885
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 ZAP70 2558/4885ALK 293/4885INSR 726/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 ZAP70 2558/4885ALK 293/4885INSR 726/4885

“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.