SCHEMBL3319729

SCHEMBL3319729

FC(F)(F)CCN1CCC(Nc2ccc3cnccc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.43
ROCK1 Q13464 4/20 0.43
PRMT3 O60678 7/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GSK3B P49841 5/20 0.40
DYRK1A Q13627 5/20 0.40
WNT1 P04628 4/20 0.40
CCR2 P41597 1/20 0.40
CD38 P28907 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL3313336 0.93 ROCK2 (0.43) ROCK2ROCK1PRMT3CCR2CD38
SCHEMBL3313343 0.93 ROCK2 (0.43) ROCK2ROCK1PRMT3CCR2CD38
SCHEMBL3315288 0.88 PRMT3 (0.42) ROCK2ROCK1PRMT3
SCHEMBL3319573 0.87 ROCK2 (0.49) ROCK2ROCK1PRMT3CCR2
SCHEMBL3319577 0.87 ROCK2 (0.49) ROCK2ROCK1PRMT3CCR2
SCHEMBL3311852 0.85 ROCK2 (0.60) ROCK2ROCK1PRMT3CA12CA1
SCHEMBL3312264 0.83 ROCK2 (0.52) ROCK2ROCK1PRMT3CA12CA1
SCHEMBL3314072 0.82 CCR3 (0.45) GSK3BDYRK1AWNT1CD38
SCHEMBL3313389 0.82 PRMT3 (0.44) ROCK2ROCK1PRMT3CA12CA1
SCHEMBL3313697 0.82 KDM4E (0.52) ROCK2ROCK1PRMT3CA12CA1

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-2009113408-A1 FLAT CONNECTOR FOR POWER SUPPLY WATANABE MITSUTOSHI (JP) 2009-09-17 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 ROCK2 6/4885ROCK1 5/4885PRMT3 716/4885

“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.