SCHEMBL21561507

SCHEMBL21561507

NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)(F)F)c4)c23)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.62
▸ ERBB2 P04626 18/20 0.62
▸ LCK P06239 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ AAK1 Q2M2I8 2/20 0.55

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
SCHEMBL21561484 0.88 EGFR (0.67) EGFRERBB2LCKKDRAAK1
SCHEMBL1218658 0.84 ERBB2 (0.77) EGFRERBB2LCKKDRAAK1
SCHEMBL21561502 0.83 ERBB2 (0.59) EGFRERBB2LCKKDRAAK1
SCHEMBL1219640 0.83 ERBB2 (0.72) EGFRERBB2LCKKDRAAK1
SCHEMBL1219652 0.83 EGFR (0.70) EGFRERBB2LCKKDRAAK1
SCHEMBL1219465 0.83 EGFR (0.76) EGFRERBB2LCKKDRAAK1
SCHEMBL21561499 0.82 ERBB2 (0.58) EGFRERBB2LCKKDRAAK1
SCHEMBL21561455 0.81 ERBB2 (0.56) EGFRERBB2LCKKDRAAK1
SCHEMBL21561456 0.81 ERBB2 (0.56) EGFRERBB2LCKKDRAAK1
SCHEMBL21561454 0.81 ERBB2 (0.56) EGFRERBB2LCKKDRAAK1

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

“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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