SCHEMBL5440563

SCHEMBL5440563

Nc1nccc2c(-c3cccc(OCc4ccccc4)c3)cccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.53
MAOB P27338 3/20 0.51
PRKDC P78527 2/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
BACE1 P56817 1/20 0.47
DHFR P00374 1/20 0.45
NR1H2 P55055 1/20 0.45
GRM5 P41594 1/20 0.44
TNK2 Q07912 1/20 0.44

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
SCHEMBL5445887 0.85 NR1H2 (0.53) IGF1RMAOBPRKDCBACE1NR1H2
SCHEMBL5442245 0.81 MAOB (0.51) IGF1RMAOBBACE1NR1H2
SCHEMBL5436610 0.80 MAP4K4 (0.53)
SCHEMBL3792137 0.79 MAOB (0.61) IGF1RMAOBPRKDCPIK3CDPIK3CA
SCHEMBL5443961 0.79 IKBKB (0.51) IGF1RMAOB
SCHEMBL17731204 0.77 PIK3CD (0.57) IGF1RMAOBPRKDCPIK3CDPIK3CA
SCHEMBL14115599 0.77 PIK3CG (0.52) IGF1RMAOBPRKDCPIK3CDPIK3CA
SCHEMBL379281 0.75 MAOB (0.67) MAOB
SCHEMBL1718139 0.75 AURKB (0.62) IGF1R
SCHEMBL5442223 0.75 PIK3CD (0.52) PIK3CDPIK3CGTNK2

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-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 IGF1R 588/4885MAOB 2506/4885PRKDC 4020/4885

“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.