SCHEMBL20395184

SCHEMBL20395184

COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(C)=O

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.85
ERBB2 P04626 7/20 0.85
ERBB4 Q15303 2/20 0.85
GAK O14976 1/20 0.78
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68

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
SCHEMBL2251602 0.91 EGFR (0.87) EGFRERBB2ERBB4GAKHDAC3
SCHEMBL2525148 0.91 EGFR (0.86) EGFRERBB2ERBB4GAKHDAC2
SCHEMBL20412221 0.90 EGFR (0.82) EGFRERBB2ERBB4GAKHDAC3
SCHEMBL20395095 0.89 EGFR (1.00) EGFRERBB2ERBB4GAKHDAC3
SCHEMBL20415649 0.88 EGFR (0.88) EGFRERBB2ERBB4GAKHDAC3
SCHEMBL2509312 0.88 EGFR (1.00) EGFRERBB2ERBB4GAKHDAC3
SCHEMBL17498589 0.88 EGFR (0.76) EGFRERBB2ERBB4GAK
SCHEMBL17498590 0.88 EGFR (0.76) EGFRERBB2ERBB4GAK
SCHEMBL14671636 0.88 EGFR (0.86) EGFRERBB2ERBB4GAKHDAC3
SCHEMBL1446127 0.88 EGFR (0.85) EGFRERBB2ERBB4GAKHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 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-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions EGFR, BRCA1, PTPRJ EGFR 1/4885ERBB2 5/4885ERBB4 9/4885
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS EGFR, BRCA1, PTPRJ EGFR 1/4885ERBB2 5/4885ERBB4 9/4885

“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.