SCHEMBL13087174

SCHEMBL13087174

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
GPR6 P46095 3/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SYK P43405 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
PRKCZ Q05513 5/20 0.39
PRKD2 Q9BZL6 4/20 0.39
NAMPT P43490 1/20 0.38
MLNR O43193 3/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A7 Q99884 1/20 0.38
THRB P10828 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL2426257 0.93 IRAK4 (0.43) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087807 0.93 IRAK4 (0.43) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087709 0.92 ROCK2 (0.44) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087318 0.92 CYP11B1 (0.44) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087530 0.92 IRAK4 (0.45) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087870 0.91 ROCK2 (0.42) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL12327356 0.90 CPT1A (0.45) ROCK2GPR6SYKDGAT2
SCHEMBL2428040 0.90 ROCK2 (0.43) ROCK2GPR6DGAT2PRKCZPRKD2
SCHEMBL2425647 0.90 ROCK2 (0.43) ROCK2GPR6PRKCZPRKD2SLC6A7
SCHEMBL2426924 0.90 PAX8 (0.44) ROCK2GPR6DGAT2PRKCZPRKD2

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 1065/4885GPR6 2528/4885KDM1A 1279/4885

“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.