SCHEMBL5437478

SCHEMBL5437478

Oc1cccc(-c2cccc3c(Nc4ccc5ncccc5c4)nccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.48
EGFR P00533 2/20 0.48
BRAF P15056 3/20 0.46
RAF1 P04049 2/20 0.46
PIK3CD O00329 4/20 0.44
TGFBR1 P36897 1/20 0.44
CDC7 O00311 1/20 0.44
GRM4 Q14833 1/20 0.44
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CA P42336 3/20 0.42

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
SCHEMBL5440513 0.90 EGFR (0.46) ABCG2EGFRBRAFRAF1TGFBR1
SCHEMBL5447665 0.90 EGFR (0.49) ABCG2EGFRBRAFRAF1TGFBR1
SCHEMBL5440546 0.85 EGFR (0.45) EGFRBRAFRAF1TGFBR1GRM4
SCHEMBL5446058 0.85 EGFR (0.45) EGFRBRAFRAF1TGFBR1GRM4
SCHEMBL4508756 0.84 EGFR (0.59) ABCG2EGFRTGFBR1GRM4ERBB2
SCHEMBL5450861 0.81 ABCG2 (0.53) ABCG2BRAFRAF1PIK3CDCDC7
SCHEMBL5440941 0.81 BRAF (0.45) ABCG2BRAFRAF1PIK3CDCDC7
SCHEMBL5450874 0.81 LRRK2 (0.46) ABCG2EGFRBRAFRAF1PIK3CD
SCHEMBL5448685 0.80 BRAF (0.49) ABCG2EGFRBRAFRAF1PIK3CD
SCHEMBL5440959 0.80 EGFR (0.47) EGFRTGFBR1GRM4ERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511570-A 2007-05-10 JP 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 claimed
EP-1689718-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 ACTIVITY GLAXO GROUP LIMITED (GB) 2006-08-16 EP claimed
WO-2005049577-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 GLAXO GROUP LIMITED (GB) 2005-06-02 WO 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
EP-1689718-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 ACTIVITY GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005049577-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 GLAXO GROUP LIMITED (GB) 2005-06-02 WO 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 ABCG2 1594/4885EGFR 1404/4885BRAF 1718/4885

“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.