SCHEMBL25735856

SCHEMBL25735856

Cc1cc(Nc2ncnc3cc(C)c(OCCN)cc23)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.55
EGFR P00533 18/20 0.55
FBP1 P09467 3/20 0.54
KDR P35968 2/20 0.54
ERBB2 P04626 2/20 0.54
AURKA O14965 1/20 0.54
INSR P06213 1/20 0.54
PDGFRB P09619 1/20 0.54
FLT4 P35916 1/20 0.54
CLK1 P49759 1/20 0.54
EPHB4 P54760 1/20 0.54
TEK Q02763 1/20 0.54
AURKB Q96GD4 1/20 0.54
RIPK2 O43353 1/20 0.54
KIF5B P33176 1/20 0.54
NOD1 Q9Y239 1/20 0.54

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
SCHEMBL24685941 0.90 FBP1 (0.69) EGFRFBP1KDRERBB2AURKA
SCHEMBL25707230 0.90 RET (0.68) RETEGFRFBP1KDRERBB2
SCHEMBL15217642 0.83 FBP1 (0.77) RETEGFRFBP1KDRERBB2
SCHEMBL19885305 0.82 EGFR (0.58) RETEGFRFBP1KDRERBB2
SCHEMBL17921472 0.82 EGFR (0.71) RETEGFRKDRERBB2PDGFRB
SCHEMBL10081608 0.81 EGFR (0.62) RETEGFRFBP1KDRERBB2
SCHEMBL15217652 0.81 FBP1 (0.78) EGFRFBP1KDRERBB2AURKA
SCHEMBL10080593 0.79 FBP1 (0.65) RETEGFRFBP1KDRERBB2
SCHEMBL18033827 0.79 EGFR (0.56) RETEGFRFBP1KDRERBB2
SCHEMBL14863005 0.79 EGFR (0.84) EGFRFBP1KDRERBB2AURKA

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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS RET 2738/4885EGFR 3560/4885FBP1 378/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 RET 69/4885EGFR 220/4885FBP1 1355/4885

“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.