SCHEMBL13089959

SCHEMBL13089959

N#Cc1cccc(-c2cc(NC3CCN(C(=O)Cc4cccnc4)CC3)c3cnccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.45
SYK P43405 3/20 0.44
NAMPT P43490 3/20 0.44
CYP3A4 P08684 4/20 0.42
MLNR O43193 2/20 0.42
VCP P55072 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALOX15 P16050 1/20 0.39
CSF1R P07333 1/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL13087337 0.91 ROCK2 (0.41) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13100399 0.91 ROCK2 (0.41) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13087174 0.89 ROCK2 (0.44) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13087439 0.89 SYK (0.46) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13087318 0.89 CYP11B1 (0.44) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13087709 0.89 ROCK2 (0.44) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13087807 0.88 IRAK4 (0.43) ROCK2SYKNAMPTMLNRPRKCZ
SCHEMBL2426257 0.88 IRAK4 (0.43) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13087839 0.87 SYK (0.40) ROCK2SYKNAMPTCYP3A4MLNR
SCHEMBL13087530 0.86 IRAK4 (0.45) ROCK2SYKNAMPTCYP3A4MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 ROCK2 1065/4885SYK 351/4885NAMPT 2852/4885

“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.