SCHEMBL19027410

SCHEMBL19027410

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N1CCN(CC)CC1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.82
▸ EGFR P00533 3/20 0.82
▸ ROS1 P08922 4/20 0.67
▸ INSR P06213 3/20 0.67
▸ ERBB2 P04626 1/20 0.67
▸ FER P16591 1/20 0.67
▸ LTK P29376 1/20 0.67
▸ BLK P51451 1/20 0.67
▸ PTK2 Q05397 1/20 0.67
▸ BTK Q06187 1/20 0.67
▸ TNK2 Q07912 1/20 0.67
▸ ERBB4 Q15303 1/20 0.67
▸ SLK Q9H2G2 1/20 0.67
▸ EML4 Q9HC35 1/20 0.67
▸ MET P08581 1/20 0.61

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
SCHEMBL19027801 0.95 ALK (0.82) ALKEGFRROS1INSRERBB2
SCHEMBL19027393 0.95 ALK (0.74) ALKEGFRROS1INSRERBB2
SCHEMBL19027798 0.95 ALK (0.74) ALKEGFRROS1INSRERBB2
SCHEMBL19027787 0.94 ALK (0.81) ALKEGFRROS1INSRERBB2
SCHEMBL19027803 0.94 ALK (0.80) ALKEGFRROS1INSRERBB2
SCHEMBL19027385 0.93 ALK (0.81) ALKEGFRROS1INSRERBB2
SCHEMBL19027415 0.93 ALK (0.81) ALKEGFRROS1INSRERBB2
SCHEMBL19027387 0.93 ALK (0.79) ALKEGFRROS1INSRERBB2
SCHEMBL19027555 0.93 ALK (0.71) ALKEGFRROS1INSRERBB2
SCHEMBL19027794 0.93 ALK (0.95) ALKEGFRROS1INSRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883213-B Dual inhibitor of EGFR (epidermal growth factor receptor) and ALK (anaplastic lymphoma kinase) 合肥中科普瑞昇生物医药科技有限公司 2021-04-20 — — CN claimed
CN-115518071-B Application of compound in preparation of anti-esophageal cancer drugs 中国人民解放军联勤保障部队第九〇一医院 2024-03-19 — — CN disclosed
CN-115518071-A Application of compound in preparation of anti-esophageal cancer medicine 中国人民解放军联勤保障部队第九〇一医院 2022-12-27 — — CN disclosed
US-10350210-B2 EGFR and ALK dual inhibitor PRECEDO PHARMACEUTICALS CO., LTD (CN) 2019-07-16 — — US disclosed
US-10350210-B2 EGFR and ALK dual inhibitor PRECEDO PHARMACEUTICALS CO., LTD (CN) 2019-07-16 — — US disclosed
US-20180369242-A1 NOVEL EGFR AND ALK DUAL INHIBITOR PRECEDO PHARMACEUTICALS CO., LTD (CN) 2018-12-27 — — 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

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-20180369242-A1 NOVEL EGFR AND ALK DUAL INHIBITOR ALK, EGFR, NPM1 ALK 1/4885EGFR 2/4885ROS1 33/4885
US-10350210-B2 EGFR and ALK dual inhibitor ALK, EGFR, ERBB2 ALK 1/4885EGFR 2/4885ROS1 31/4885

“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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