SCHEMBL3315427

SCHEMBL3315427

CC(C)N1CCC(Nc2ccc3cnccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ ROCK2 O75116 3/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ GSK3B P49841 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ PRMT3 O60678 7/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ WHR1 P49842 1/20 0.41
▸ OGA O60502 1/20 0.41
▸ IMPDH2 P12268 1/20 0.40
▸ NSD2 O96028 2/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.39

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
SCHEMBL3313248 0.93 PRMT3 (0.40) HRH3GBA1ROCK2ROCK1PRMT3
SCHEMBL3313256 0.93 PRMT3 (0.40) HRH3GBA1ROCK2ROCK1PRMT3
SCHEMBL3316815 0.87 IMPDH2 (0.42) ROCK2ROCK1PRMT3IMPDH2
SCHEMBL3315343 0.85 POLB (0.50) ROCK2ROCK1PRMT3IMPDH2
SCHEMBL3312007 0.85 ROCK2 (0.61) ROCK2ROCK1GSK3BDYRK1APRMT3
SCHEMBL3318830 0.83 PRMT3 (0.41) ROCK2ROCK1PRMT3
SCHEMBL3318835 0.83 PRMT3 (0.41) ROCK2ROCK1PRMT3
SCHEMBL3311276 0.82 ROCK2 (0.51) ROCK2ROCK1GSK3BDYRK1APRMT3
SCHEMBL3313697 0.82 KDM4E (0.52) ROCK2ROCK1PRMT3
Hydrochloric Acid SCHEMBL3312508 0.81 KDM4E (0.51) ROCK2ROCK1PRMT3

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
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 — — US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 — — US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 — — US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 — — US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 — — US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 — — US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 — — EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — WO 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 HRH3 1743/4885GBA1 2963/4885ROCK2 6/4885

“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.

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