SCHEMBL16780916

SCHEMBL16780916

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.78
▸ INSR P06213 9/20 0.78
▸ IGF1R P08069 9/20 0.78
▸ EGFR P00533 10/20 0.73
▸ CHEK1 O14757 1/20 0.72
▸ AURKA O14965 1/20 0.72
▸ NUAK1 O60285 1/20 0.72
▸ JAK2 O60674 1/20 0.72
▸ STK10 O94804 1/20 0.72
▸ PRKD3 O94806 1/20 0.72
▸ SLC34A2 O95436 1/20 0.72
▸ CHEK2 O96017 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ CD74 P04233 1/20 0.72
▸ ERBB2 P04626 1/20 0.72
▸ LCK P06239 1/20 0.72
▸ FYN P06241 1/20 0.72
▸ FES P07332 1/20 0.72
▸ CSF1R P07333 1/20 0.72
▸ YES1 P07947 1/20 0.72

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
SCHEMBL31196996 1.00 ALK (0.78) ALKINSRIGF1REGFRCHEK1
SCHEMBL16780721 0.97 ALK (0.74) ALKINSRIGF1REGFRCHEK1
SCHEMBL15600820 0.97 ALK (0.74) ALKINSRIGF1REGFRCHEK1
SCHEMBL16780999 0.96 ALK (0.72) ALKINSRIGF1REGFRCHEK1
SCHEMBL15600815 0.95 ALK (0.72) ALKINSRIGF1REGFRCHEK1
SCHEMBL15600811 0.94 ALK (0.71) ALKINSRIGF1REGFRCHEK1
SCHEMBL15600769 0.94 ALK (0.71) ALKINSRIGF1REGFRCHEK1
SCHEMBL14150200 0.94 ALK (0.74) ALKINSRIGF1REGFREML4
SCHEMBL15600816 0.93 ALK (0.73) ALKINSRIGF1REGFRCHEK1
SCHEMBL22497639 0.93 ALK (0.71) ALKINSRIGF1REGFRCHEK1

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-20220227796-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-07-21 — — US claimed
CN-113677680-A EGFR inhibitor and composition and application thereof 贝达药业股份有限公司 2021-11-19 — — CN claimed
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
CN-119143806-B Dimethyl phosphine oxide substituted aniline pyrimidine derivative targeting EGFR mutation, preparation method and application thereof, and medicine prepared from dimethyl phosphine oxide substituted aniline pyrimidine derivative 四川大学华西医院 2025-03-11 — — CN disclosed
CN-119143806-A Dimethyl phosphine oxide substituted aniline pyrimidine derivative targeting EGFR mutation, preparation method and application thereof, and medicine prepared from dimethyl phosphine oxide substituted aniline pyrimidine derivative 四川大学华西医院 2024-12-17 — — CN disclosed
CN-113677680-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2024-05-10 — — CN disclosed
US-20220227796-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-07-21 — — US disclosed
CN-113677680-A EGFR inhibitor and composition and application thereof 贝达药业股份有限公司 2021-11-19 — — CN disclosed
WO-2020200191-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-10-08 — — WO disclosed
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 — — EP disclosed
US-10350210-B2 EGFR and ALK dual inhibitor PRECEDO PHARMACEUTICALS CO., LTD (CN) 2019-07-16 — — 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
WO-2017101803-A1 NOVEL EGFR AND ALK DUAL INHIBITOR 合肥中科普瑞昇生物医药科技有限公司 2017-06-22 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10350210-B2 EGFR and ALK dual inhibitor ALK, EGFR, ERBB2 ALK 1/4885INSR 969/4885IGF1R 212/4885
US-20220227796-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF EGFR, ERBB2, ERBB3 ALK 56/4885INSR 324/4885IGF1R 49/4885
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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