SCHEMBL21561493

SCHEMBL21561493

CCNC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 19/20 0.54
▸ EGFR P00533 13/20 0.54
▸ AAK1 Q2M2I8 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ NQO2 P16083 1/20 0.48
▸ FECH P22830 1/20 0.48
▸ MYH14 Q7Z406 1/20 0.48
▸ RIPK3 Q9Y572 1/20 0.48

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
SCHEMBL21561494 0.91 ERBB2 (0.53) ERBB2EGFRAAK1
SCHEMBL21561484 0.90 EGFR (0.67) ERBB2EGFRAAK1LCKKDR
SCHEMBL21561466 0.90 ERBB2 (0.56) ERBB2EGFRAAK1LCKKDR
SCHEMBL21561475 0.87 EGFR (0.54) ERBB2EGFRAAK1NQO2FECH
SCHEMBL21561477 0.87 EGFR (0.54) ERBB2EGFRAAK1LCKNQO2
SCHEMBL21561485 0.87 ERBB2 (0.53) ERBB2EGFRAAK1NQO2FECH
SCHEMBL21561482 0.87 ERBB2 (0.52) ERBB2EGFRAAK1NQO2FECH
SCHEMBL21561498 0.86 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14
SCHEMBL21561496 0.86 AAK1 (0.66) ERBB2EGFRAAK1
SCHEMBL21561471 0.85 ERBB2 (0.51) ERBB2EGFRAAK1LCKNQO2

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 ERBB2 1/4885EGFR 2/4885AAK1 458/4885
US-20210323979-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885AAK1 458/4885

“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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