SCHEMBL6891353

SCHEMBL6891353

CC(=O)N(Nc1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1)S(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.62
EGFR P00533 16/20 0.62
ERBB4 Q15303 9/20 0.62
MEN1 O00255 1/20 0.62
RGS12 O14924 1/20 0.62
GMNN O75496 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
RAF1 P04049 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
APEX1 P27695 1/20 0.62
MAPK1 P28482 1/20 0.62

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
SCHEMBL6891343 0.83 ERBB2 (0.62) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL6773200 0.82 ERBB2 (0.69) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL6891340 0.81 ERBB2 (0.62) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL6883721 0.81 ERBB2 (0.76) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL8365630 0.80 ERBB2 (0.73) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2248227 0.80 ERBB2 (0.60) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL2249076 0.80 ERBB2 (0.67) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL3323462 0.80 ERBB2 (0.74) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL31061501 0.79 ERBB2 (0.76) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL8561085 0.79 ERBB2 (0.76) ERBB2EGFRERBB4MEN1RGS12

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-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 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 (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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK ERBB2 35/4885EGFR 354/4885ERBB4 141/4885

“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.