SCHEMBL7120632

SCHEMBL7120632

NC(=O)c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.76
ERBB2 P04626 4/20 0.73
AURKA O14965 1/20 0.62
RPS6KB1 P23443 1/20 0.62
GRM1 Q13255 1/20 0.61
ERBB4 Q15303 1/20 0.61
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
DYRK1A Q13627 1/20 0.59

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
SCHEMBL6188789 0.89 EGFR (0.80) EGFRERBB2AURKAERBB4HDAC3
SCHEMBL6188401 0.87 EGFR (0.67) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL2991833 0.83 EGFR (1.00) EGFRERBB2AURKAGRM1ERBB4
SCHEMBL29923578 0.83 EGFR (1.00) EGFRERBB2AURKAGRM1ERBB4
SCHEMBL31299934 0.83 EGFR (1.00) EGFRERBB2AURKAGRM1ERBB4
SCHEMBL641359 0.82 EGFR (0.75) EGFRERBB2AURKAGRM1
Hydrochloric Acid SCHEMBL7764930 0.82 EGFR (0.97) EGFRERBB2AURKAGRM1ERBB4
SCHEMBL6188729 0.81 EGFR (0.77) EGFRERBB2AURKAGRM1
SCHEMBL2248477 0.81 EGFR (0.77) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL27686240 0.80 EGFR (0.63) EGFRERBB2AURKARPS6KB1GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US claimed
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN claimed
CN-1194692-C Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2005-03-30 CN disclosed
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN 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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885AURKA 92/4885

“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.