SCHEMBL5662907

SCHEMBL5662907

Nc1nccc2c(NC3CCNCC3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
NSD2 O96028 1/20 0.45
ROCK1 Q13464 4/20 0.43
ROCK2 O75116 3/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
PRKX P51817 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
PRKCZ Q05513 1/20 0.41
TGFBR1 P36897 1/20 0.41
HTR6 P50406 4/20 0.41
MAPK1 P28482 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
PLK4 O00444 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL5663345 0.99 HRH3 (0.48) HRH3NSD2ROCK1ROCK2AURKA
Hydrochloric Acid SCHEMBL29862494 0.82 NSD2 (0.46) HRH3NSD2ROCK1ROCK2AURKA
Hydrochloric Acid SCHEMBL29862497 0.82 NSD2 (0.49) HRH3NSD2ROCK1ROCK2AURKA
Hydrochloric Acid SCHEMBL29862846 0.82 NSD2 (0.46) HRH3NSD2ROCK1ROCK2AURKA
Hydrochloric Acid SCHEMBL28834082 0.82 NSD2 (0.49) HRH3NSD2ROCK1ROCK2AURKA
Hydrochloric Acid SCHEMBL23360282 0.82 NSD2 (0.46) HRH3NSD2ROCK1ROCK2AURKA
Hydrochloric Acid SCHEMBL5662526 0.82 NSD2 (0.46) HRH3NSD2ROCK1ROCK2AURKA
SCHEMBL12537719 0.81 HRH3 (0.51) HRH3ROCK1ROCK2MAPK1CDC42BPB
SCHEMBL15169798 0.80 ROCK2 (0.41) NSD2ROCK1ROCK2TGFBR1
SCHEMBL15169799 0.80 ROCK2 (0.41) NSD2ROCK1ROCK2TGFBR1

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-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 US disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A HRH3 1769/4885NSD2 3184/4885ROCK1 75/4885

“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.