SCHEMBL7060640

SCHEMBL7060640

NC(=O)C=Cc1ccc2ncnc(Nc3ccccc3)c2n1.c1ccc(Nc2ncnc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.54
EGFR P00533 3/20 0.54
DAPK3 O43293 1/20 0.54
MAP4K4 O95819 1/20 0.54
ABL1 P00519 1/20 0.54
ERBB2 P04626 1/20 0.54
PIM1 P11309 1/20 0.54
PRKACA P17612 1/20 0.54
LTK P29376 1/20 0.54
MAPK8 P45983 1/20 0.54
CSNK1A1 P48729 1/20 0.54
RPS6KA3 P51812 1/20 0.54
LIMK1 P53667 1/20 0.54
MAP2K1 Q02750 1/20 0.54
ACVR1 Q04771 1/20 0.54
TYRO3 Q06418 1/20 0.54
MAP4K2 Q12851 1/20 0.54
ROCK1 Q13464 1/20 0.54
DYRK1A Q13627 1/20 0.54
MAPK14 Q16539 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
SCHEMBL1262019 0.94 MKNK2 (0.53) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL1262018 0.94 MKNK2 (0.53) ABCG2EGFRDAPK3MAP4K4ABL1
Acrylamide SCHEMBL4278962 0.78 EGFR (0.70) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL3243687 0.78 EGFR (0.59) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL29941271 0.74 EGFR (1.00) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL8920 0.74 EGFR (1.00) ABCG2EGFRDAPK3MAP4K4ABL1
Hydrochloric Acid SCHEMBL29394578 0.72 EGFR (0.96) ABCG2EGFRDAPK3MAP4K4ABL1
Hydrochloric Acid SCHEMBL20856873 0.72 EGFR (0.96) ABCG2EGFRDAPK3MAP4K4ABL1
SCHEMBL7086914 0.70 CYP1A2 (0.43) EGFRMAP4K4PIM1PRKACAMAPK8
SCHEMBL7086916 0.70 CYP1A2 (0.43) EGFRMAP4K4PIM1PRKACAMAPK8

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-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ELDER JAMES T (US) 2004-10-07 US disclosed
US-20020169176-A1 Method for inhibiting retinoid skin damage ELDER JAMES T (US) 2002-11-14 US disclosed
EP-1230919-A2 Use of a composition comprising a retinoid and an erb inhibitor in the preparation of a medicament for the treatment of retinoid skin damage WARNER-LAMBERT COMPANY (US) 2002-08-14 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 (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-20020169176-A1 Method for inhibiting retinoid skin damage RARB, EBP, RXRA ABCG2 2942/4885EGFR 47/4885DAPK3 1520/4885
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA ABCG2 2788/4885EGFR 1/4885DAPK3 2255/4885

“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.