SCHEMBL5447665

SCHEMBL5447665

Oc1ccc(-c2cccc3c(Nc4ccc5ncccc5c4)nccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
BRAF P15056 9/20 0.48
ERBB2 P04626 1/20 0.45
ERBB4 Q15303 1/20 0.45
TGFBR1 P36897 1/20 0.45
GRM4 Q14833 1/20 0.45
ABCG2 Q9UNQ0 4/20 0.44
RAF1 P04049 3/20 0.44
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40

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 0.91 EGFR (0.46) EGFRBRAFERBB2ERBB4TGFBR1
SCHEMBL5437478 0.90 ABCG2 (0.48) EGFRBRAFERBB2ERBB4TGFBR1
SCHEMBL4508756 0.90 EGFR (0.59) EGFRERBB2ERBB4TGFBR1GRM4
SCHEMBL5440546 0.86 EGFR (0.45) EGFRBRAFERBB2ERBB4TGFBR1
SCHEMBL5446058 0.86 EGFR (0.45) EGFRBRAFERBB2ERBB4TGFBR1
SCHEMBL5446070 0.83 TGFBR1 (0.46) EGFRERBB2ERBB4TGFBR1GRM4
SCHEMBL5452047 0.82 EGFR (0.43) EGFRBRAFERBB2ERBB4TGFBR1
SCHEMBL5445026 0.82 EGFR (0.45) EGFRERBB2ERBB4TGFBR1GRM4
SCHEMBL5440959 0.81 EGFR (0.47) EGFRERBB2ERBB4TGFBR1GRM4
SCHEMBL4505968 0.80 EGFR (0.54) EGFRERBB2ERBB4TGFBR1GRM4

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 EGFR 1404/4885BRAF 1718/4885ERBB2 1046/4885

“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.