SCHEMBL25386305

SCHEMBL25386305

C#Cc1cccc(Nc2ncnc3ccc(NC(=O)C=CN)cc23)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.76
▸ HDAC3 O15379 3/20 0.64
▸ HDAC1 Q13547 3/20 0.64
▸ ERBB2 P04626 6/20 0.60
▸ ERBB4 Q15303 2/20 0.56
▸ FYN P06241 2/20 0.56
▸ SRC P12931 2/20 0.56
▸ BLK P51451 1/20 0.56
▸ BMX P51813 1/20 0.56
▸ JAK3 P52333 1/20 0.56
▸ BTK Q06187 1/20 0.56

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
SCHEMBL25341768 0.83 EGFR (0.78) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL12093972 0.83 EGFR (0.68) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL1507476 0.83 EGFR (0.80) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL2950374 0.82 EGFR (0.67) EGFRHDAC3HDAC1ERBB2ERBB4
Hydrochloric Acid SCHEMBL1507687 0.82 EGFR (0.79) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL13889775 0.80 EGFR (0.70) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL2949992 0.80 EGFR (0.67) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL13514711 0.80 EGFR (0.72) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL13514800 0.80 EGFR (0.72) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL1766071 0.80 EGFR (0.72) EGFRHDAC3HDAC1ERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications OREGON HEALTH & SCIENCE UNIVERSITY 2023-09-14 — — US disclosed
EP-4225122-A1 ZWITTERIONIC CELL-PERMEANT AND WATER-SOLUBLE RHODAMINE DYES FOR QUANTITATIVE IMAGING APPLICATIONS Oregon Health & Science University (US) 2023-08-16 — — EP 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 (1 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-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications SLC1A5, SLCO1B1, SLCO2B1 EGFR 1711/4885HDAC3 4283/4885HDAC1 4651/4885

“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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