SCHEMBL3311679

SCHEMBL3311679

c1cc2cc(NC3CNC3)ccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 11/20 0.47
PRKCZ Q05513 1/20 0.46
IMPDH2 P12268 3/20 0.44
ROCK1 Q13464 1/20 0.44
GRM4 Q14833 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
Hydrochloric Acid SCHEMBL3313379 0.98 PRMT3 (0.46) PRMT3PRKCZIMPDH2ROCK1GRM4
SCHEMBL3313511 0.88 PRKCZ (0.54) PRMT3PRKCZROCK1
SCHEMBL3313505 0.88 PRKCZ (0.54) PRMT3PRKCZROCK1
SCHEMBL3319677 0.88 PRKCZ (0.54) PRMT3PRKCZROCK1
Hydrochloric Acid SCHEMBL3311221 0.87 PRKCZ (0.53) PRMT3PRKCZROCK1
Hydrochloric Acid SCHEMBL3311231 0.87 PRKCZ (0.53) PRMT3PRKCZROCK1
SCHEMBL3313263 0.86 PRKCZ (0.57) PRMT3PRKCZROCK1
SCHEMBL3313259 0.86 PRKCZ (0.57) PRMT3PRKCZROCK1
Hydrochloric Acid SCHEMBL3317008 0.85 PRKCZ (0.56) PRMT3PRKCZROCK1
Hydrochloric Acid SCHEMBL3317013 0.85 PRKCZ (0.56) PRMT3PRKCZROCK1

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 9 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
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 PRMT3 716/4885PRKCZ 94/4885IMPDH2 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.