SCHEMBL4009031

SCHEMBL4009031

Cc1cc2c(=O)[nH]ccc2cc1O[C@H]1CCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 1.00
ROCK2 O75116 6/20 0.66
PRKCD Q05655 2/20 0.66
PRKX P51817 1/20 0.66
PRKCE Q02156 1/20 0.66
PRKD1 Q15139 1/20 0.66
MAP2K1 Q02750 3/20 0.65
PRKACA P17612 1/20 0.46
PRKG1 Q13976 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46
KCNH2 Q12809 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40

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
SCHEMBL8987606 1.00 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL4009033 1.00 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL3228999 0.93 ROCK1 (0.87) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL3229011 0.93 ROCK1 (0.87) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL3231265 0.93 ROCK1 (0.87) ROCK1ROCK2PRKCDPRKXPRKCE
Hydrochloric Acid SCHEMBL3230663 0.92 ROCK1 (0.85) ROCK1ROCK2PRKCDPRKXPRKCE
Hydrochloric Acid SCHEMBL3230652 0.92 ROCK1 (0.85) ROCK1ROCK2PRKCDPRKXPRKCE
Hydrochloric Acid SCHEMBL3232923 0.92 ROCK1 (0.85) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL3221398 0.91 ROCK1 (0.83) ROCK1ROCK2PRKCDPRKXPRKCE
Hydrochloric Acid SCHEMBL3233573 0.90 ROCK1 (0.81) ROCK1ROCK2PRKCDPRKXPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US claimed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP claimed
EP-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP disclosed
EP-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP disclosed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP disclosed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP disclosed
WO-2007065916-A1 ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2007-06-14 WO disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 US disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 US disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 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-20070135479-A1 Isoquinoline derivatives ROCK1, ROCK2, RHOA ROCK1 1/4885ROCK2 2/4885PRKCD 384/4885

“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.