SCHEMBL21561496

SCHEMBL21561496

Cc1cc(Nc2ncnn3ccc(CN4CCC(NC(=O)OC(C)(C)C)CC4)c23)ccc1Oc1ccn2ncnc2c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.66
▸ ERBB2 P04626 15/20 0.49
▸ EGFR P00533 11/20 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
SCHEMBL23939410 0.90 AAK1 (0.55) AAK1ERBB2EGFR
SCHEMBL27440726 0.90 AAK1 (0.55) AAK1ERBB2EGFR
SCHEMBL27440712 0.90 AAK1 (0.55) AAK1ERBB2EGFR
SCHEMBL21561522 0.90 AAK1 (0.55) AAK1ERBB2EGFR
SCHEMBL23939405 0.90 AAK1 (0.53) AAK1ERBB2EGFR
SCHEMBL23939402 0.89 AAK1 (0.52) AAK1ERBB2EGFR
SCHEMBL25085417 0.89 AAK1 (0.53) AAK1ERBB2EGFR
SCHEMBL23939369 0.89 AAK1 (0.53) AAK1ERBB2EGFR
SCHEMBL21561530 0.89 AAK1 (0.57) AAK1ERBB2EGFR
SCHEMBL23096419 0.88 AAK1 (0.53) AAK1ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof MEDSHINE DISCOVERY INC. (CN) 2024-07-09 — — US disclosed
US-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof MEDSHINE DISCOVERY INC. (CN) 2024-07-09 — — US disclosed
EP-3792263-B1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF MEDSHINE DISCOVERY INC (CN) 2023-03-01 — — EP disclosed
US-20210323979-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-10-21 — — US disclosed
EP-3792263-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2021-03-17 — — EP disclosed
WO-2019214651-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF 南京明德新药研发有限公司 (CN) 2019-11-14 — — 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-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof ERBB2, EGFR, ERBB3 AAK1 458/4885ERBB2 1/4885EGFR 2/4885
US-20210323979-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF ERBB2, EGFR, ERBB3 AAK1 458/4885ERBB2 1/4885EGFR 2/4885

“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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