SCHEMBL21561450

SCHEMBL21561450

CO[C@H]1CN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC[C@@H]1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.57
▸ LCK P06239 2/20 0.57
▸ CIT O14578 1/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ GAK O14976 1/20 0.57
▸ STK10 O94804 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ YES1 P07947 1/20 0.57
▸ LYN P07948 1/20 0.57
▸ RET P07949 1/20 0.57
▸ HCK P08631 1/20 0.57
▸ SRC P12931 1/20 0.57
▸ PHKG2 P15735 1/20 0.57
▸ PRKCA P17252 1/20 0.57
▸ PRKACA P17612 1/20 0.57
▸ CSNK2A2 P19784 1/20 0.57
▸ PRKACB P22694 1/20 0.57
▸ MARK3 P27448 1/20 0.57

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
SCHEMBL21561500 1.00 EGFR (0.57) EGFRLCKCITCHEK1GAK
SCHEMBL23096271 1.00 EGFR (0.57) EGFRLCKCITCHEK1GAK
SCHEMBL21561457 1.00 EGFR (0.57) EGFRLCKCITCHEK1GAK
SCHEMBL21561451 0.91 ERBB2 (0.56) EGFRLCKCITCHEK1GAK
SCHEMBL21561501 0.91 ERBB2 (0.56) EGFRLCKCITCHEK1GAK
SCHEMBL21561454 0.91 ERBB2 (0.56) EGFRLCKCITCHEK1GAK
SCHEMBL21561456 0.91 ERBB2 (0.56) EGFRLCKCITCHEK1GAK
SCHEMBL21561455 0.91 ERBB2 (0.56) EGFRLCKCITCHEK1GAK
SCHEMBL21561484 0.90 EGFR (0.67) EGFRLCKAAK1ERBB2KDR
SCHEMBL21561477 0.88 EGFR (0.54) EGFRLCKCITCHEK1GAK

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 EGFR 2/4885LCK 11/4885CIT 1374/4885
US-20210323979-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF ERBB2, EGFR, ERBB3 EGFR 2/4885LCK 11/4885CIT 1374/4885

“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.

Send feedback