SCHEMBL23939422

SCHEMBL23939422

Cc1c(F)cn2ncnc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.35
KDR P35968 4/20 0.35
ERBB2 P04626 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL14111470 0.81 KDR (0.44) EGFRKDRALDH1A1
SCHEMBL23096263 0.81 KDR (0.33) EGFRKDRKDM4EALDH1A1MAPK1
SCHEMBL24392407 0.81 EGFR (0.33) EGFRKDRALDH1A1
SCHEMBL24393357 0.79 KDR (0.33) EGFRKDR
SCHEMBL23939418 0.79 KDR (0.37) EGFRKDRKDM4EALDH1A1MAPK1
SCHEMBL23096261 0.76 ALDH1A1 (0.33) EGFRKDRALDH1A1
SCHEMBL24392520 0.75 EGLN2 (0.33) ALDH1A1
SCHEMBL27121907 0.75 FGFR1 (0.37) EGFRKDRERBB2
SCHEMBL12728844 0.73 KDR (0.39) KDR
SCHEMBL21216515 0.72

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 3 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
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

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 2/4885KDR 78/4885ERBB2 1/4885
US-20210323979-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF ERBB2, EGFR, ERBB3 EGFR 2/4885KDR 78/4885ERBB2 1/4885

“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.