SCHEMBL2428040

SCHEMBL2428040

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
PRKCZ Q05513 5/20 0.41
PRKD2 Q9BZL6 4/20 0.41
GPR6 P46095 3/20 0.41
DYRK1A Q13627 1/20 0.41
CYP11B2 P19099 1/20 0.40
SLC6A7 Q99884 1/20 0.39
THRB P10828 1/20 0.38
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
JAK1 P23458 2/20 0.38
KCNH2 Q12809 2/20 0.38
PDE4D Q08499 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL13087161 0.95 ROCK2 (0.46) ROCK2PRKCZPRKD2GPR6DYRK1A
SCHEMBL2426924 0.91 PAX8 (0.44) ROCK2PRKCZPRKD2GPR6SLC6A7
SCHEMBL2425647 0.91 ROCK2 (0.43) ROCK2PRKCZPRKD2GPR6DYRK1A
SCHEMBL13087709 0.91 ROCK2 (0.44) ROCK2PRKCZPRKD2GPR6SLC6A7
SCHEMBL13089958 0.90 SLC6A7 (0.48) ROCK2PRKCZPRKD2GPR6SLC6A7
SCHEMBL13087174 0.90 ROCK2 (0.44) ROCK2PRKCZPRKD2GPR6SLC6A7
SCHEMBL13087519 0.90 SYK (0.47) ROCK2GPR6SLC6A7
SCHEMBL13087310 0.89 SLC6A7 (0.49) ROCK2GPR6SLC6A7
SCHEMBL13087318 0.89 CYP11B1 (0.44) ROCK2PRKCZPRKD2GPR6CYP11B2
SCHEMBL13087298 0.89 SMO (0.49) ROCK2PRKCZPRKD2GPR6SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
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-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP 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
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 1065/4885PRKCZ 272/4885PRKD2 49/4885

“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.