SCHEMBL16780988

SCHEMBL16780988

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(CCO)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.64
▸ INSR P06213 11/20 0.64
▸ IGF1R P08069 11/20 0.64
▸ EGFR P00533 8/20 0.60
▸ EML4 Q9HC35 2/20 0.60
▸ CHEK1 O14757 1/20 0.60
▸ AURKA O14965 1/20 0.60
▸ NUAK1 O60285 1/20 0.60
▸ JAK2 O60674 1/20 0.60
▸ STK10 O94804 1/20 0.60
▸ PRKD3 O94806 1/20 0.60
▸ SLC34A2 O95436 1/20 0.60
▸ CHEK2 O96017 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ CD74 P04233 1/20 0.60
▸ ERBB2 P04626 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ FYN P06241 1/20 0.60
▸ FES P07332 1/20 0.60
▸ CSF1R P07333 1/20 0.60

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
SCHEMBL16780999 0.93 ALK (0.72) ALKINSRIGF1REGFREML4
SCHEMBL15600831 0.92 ALK (0.69) ALKINSRIGF1REGFREML4
SCHEMBL16780713 0.92 ALK (0.71) ALKINSRIGF1REGFREML4
SCHEMBL16781003 0.91 ALK (0.73) ALKINSRIGF1REGFREML4
SCHEMBL16781255 0.91 ALK (0.65) ALKINSRIGF1REGFREML4
SCHEMBL16780929 0.90 ALK (0.69) ALKINSRIGF1REGFREML4
SCHEMBL31196996 0.90 ALK (0.78) ALKINSRIGF1REGFREML4
SCHEMBL16780916 0.90 ALK (0.78) ALKINSRIGF1REGFREML4
SCHEMBL16780794 0.89 ALK (0.62) ALKINSRIGF1REGFREML4
SCHEMBL15600820 0.88 ALK (0.74) ALKINSRIGF1REGFREML4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 — — EP claimed
US-9834571-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-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-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
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 — — US 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
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 — — 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-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES BRAF, RAF1, EGFR ALK 161/4885INSR 856/4885IGF1R 675/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 ALK 293/4885INSR 726/4885IGF1R 73/4885

“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.

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