SCHEMBL5448685

SCHEMBL5448685

Nc1cccc(Nc2nccc3c(-c4cccc(O)c4)cccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.49
RAF1 P04049 2/20 0.48
ABCG2 Q9UNQ0 3/20 0.47
AHR P35869 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
PIK3CD O00329 4/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CB P42338 2/20 0.46
MTOR P42345 2/20 0.46
EGFR P00533 1/20 0.44
TTBK1 Q5TCY1 2/20 0.44
TTBK2 Q6IQ55 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5450861 0.88 ABCG2 (0.53) BRAFRAF1ABCG2GLAHTT
SCHEMBL7127026 0.87 AHR (0.53) BRAFABCG2AHREGFRMAPT
SCHEMBL5437465 0.85 BRAF (0.45) BRAFRAF1ABCG2GLAHTT
SCHEMBL5448682 0.84 BRAF (0.43) BRAFRAF1ABCG2GLAHTT
SCHEMBL5441105 0.84 IKBKB (0.47) BRAFRAF1ABCG2SYK
SCHEMBL5442716 0.83 ABCG2 (0.59) BRAFRAF1ABCG2HTTEGFR
SCHEMBL5449527 0.83 BRAF (0.46) BRAFRAF1ABCG2GLAHTT
SCHEMBL5440503 0.82 ABCG2 (0.54) BRAFRAF1ABCG2HTTEGFR
SCHEMBL5450866 0.81 BRAF (0.50) BRAFHTTMEN1KMT2ACDC7
SCHEMBL5437478 0.80 ABCG2 (0.48) BRAFRAF1ABCG2GLAHTT

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-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 GLAXO GROUP LIMITED (GB) 2007-03-29 US claimed
US-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 GLAXO GROUP LIMITED (GB) 2007-03-29 US disclosed
US-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 GLAXO GROUP LIMITED (GB) 2007-03-29 US disclosed
US-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 GLAXO GROUP LIMITED (GB) 2007-03-29 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-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 ALK, NPR3, CBR3 BRAF 1718/4885RAF1 1644/4885ABCG2 1594/4885

“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.