SCHEMBL5444119

SCHEMBL5444119

Nc1nccc2c(-c3ccc(=O)[nH]c3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.52
▸ MAP4K4 O95819 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ INCENP Q9NQS7 1/20 0.43
▸ RIPK1 Q13546 8/20 0.42
▸ USP7 Q93009 1/20 0.41
▸ ROCK2 O75116 1/20 0.38
▸ PRKX P51817 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ F12 P00748 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38

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
SCHEMBL4511200 0.76 TGFBR1 (0.50) TGFBR1MAP4K4AURKAAURKBRIPK1
SCHEMBL10962545 0.76 AURKA (0.62) TGFBR1AURKATTKAURKBINCENP
SCHEMBL5441099 0.70 PI4K2A (0.49) TGFBR1
SCHEMBL11447916 0.69 MKNK1 (0.50) MAP4K4USP7
SCHEMBL12501165 0.69 TGFBR1 (1.00) TGFBR1MAP4K4ROCK2PRKXROCK1
SCHEMBL5442223 0.68 PIK3CD (0.52) TGFBR1MAP4K4AURKBRIPK1ROCK2
SCHEMBL30404164 0.67 SYK (0.38) MAP4K4USP7
SCHEMBL10365508 0.67 CSNK1A1 (0.51) MAP4K4ATR
SCHEMBL5444085 0.67 JAK2 (0.48) TGFBR1RIPK1
SCHEMBL24196655 0.67 NOS3 (0.50) TGFBR1MAP4K4RIPK1ROCK2PRKX

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 TGFBR1 1311/4885MAP4K4 2454/4885AURKA 3230/4885

“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.

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