SCHEMBL3594442

SCHEMBL3594442

CNS(=O)(=O)c1ccc(NCC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 6/20 0.56
NOTUM Q6P988 4/20 0.49
IMPDH2 P12268 5/20 0.49
JAK2 O60674 4/20 0.48
ROCK2 O75116 4/20 0.48
JAK3 P52333 4/20 0.48
ROCK1 Q13464 4/20 0.48
IKBKB O14920 3/20 0.48
NAMPT P43490 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46

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
SCHEMBL3592588 0.86 CA2 (0.53) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL3588716 0.83 IMPDH2 (0.70) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL3598434 0.82 IMPDH2 (0.69) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL3593343 0.81 ACHE (0.61) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL14625937 0.81 ROCK2 (0.60) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL3603765 0.81 PRMT3 (0.56) PRMT3NOTUMIMPDH2
SCHEMBL13913491 0.80 NOTUM (0.56) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL17772181 0.79 PRMT3 (0.51) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL3599520 0.78 CA1 (0.56) PRMT3NOTUMIMPDH2
SCHEMBL3599005 0.78 NOTUM (0.57) PRMT3NOTUMIMPDH2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910297-B1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2016-05-25 EP disclosed
US-20100093790-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20090069371-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-7470787-B2 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
EP-1910297-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2008-04-16 EP disclosed
US-20070142429-A1 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
WO-2007008926-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 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 (3 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-20090069371-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 PRMT3 2666/4885NOTUM 4507/4885IMPDH2 2567/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 PRMT3 2666/4885NOTUM 4507/4885IMPDH2 2567/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 PRMT3 2666/4885NOTUM 4507/4885IMPDH2 2567/4885

“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.