SCHEMBL3313348

SCHEMBL3313348

c1cc2cc(NC3CCN(CC4CCCCC4)CC3)ccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 12/20 0.51
PRKD1 Q15139 1/20 0.45
NAMPT P43490 2/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CCR2 P41597 1/20 0.41
EHMT2 Q96KQ7 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
SCHEMBL3315634 0.94 PRMT3 (0.48) PRMT3PRKD1NAMPTROCK2ROCK1
SCHEMBL3315641 0.94 PRMT3 (0.48) PRMT3PRKD1NAMPTROCK2ROCK1
SCHEMBL3313389 0.94 PRMT3 (0.44) PRMT3PRKD1ROCK2ROCK1CCR2
SCHEMBL3312161 0.91 PRMT3 (0.51) PRMT3PRKD1NAMPTROCK2ROCK1
SCHEMBL3312541 0.89 ROCK2 (0.51) PRMT3ROCK2ROCK1CCR2
SCHEMBL3316210 0.89 ROCK2 (0.51) PRMT3ROCK2ROCK1CCR2
SCHEMBL3312072 0.88 ROCK2 (0.44) PRMT3ROCK2ROCK1CCR2
SCHEMBL3312078 0.88 ROCK2 (0.44) PRMT3ROCK2ROCK1CCR2
SCHEMBL3311578 0.84 PRMT3 (0.45) PRMT3PRKD1ROCK2ROCK1CCR2
SCHEMBL3313697 0.84 KDM4E (0.52) PRMT3ROCK2ROCK1KDM4EMEN1

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 6 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

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 716/4885PRKD1 634/4885NAMPT 2437/4885

“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.