SCHEMBL3598327

SCHEMBL3598327

CNC(=O)c1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 4/20 0.56
GRK2 P25098 5/20 0.55
GRK3 P35626 4/20 0.55
IMPDH2 P12268 5/20 0.53
NOTUM Q6P988 5/20 0.53
GRK5 P34947 1/20 0.50
ROCK2 O75116 1/20 0.48
SIRT5 Q9NXA8 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
SCHEMBL3593041 0.90 IMPDH2 (0.56) PRMT3GRK2GRK3IMPDH2NOTUM
SCHEMBL13913479 0.89 GRK2 (0.54) PRMT3GRK2GRK3IMPDH2NOTUM
SCHEMBL3586989 0.89 IMPDH2 (0.60) PRMT3GRK2GRK3IMPDH2NOTUM
SCHEMBL3581150 0.88 GRK2 (0.61) GRK2IMPDH2NOTUM
SCHEMBL3587855 0.87 NOTUM (0.55) PRMT3IMPDH2NOTUMROCK2
SCHEMBL3592528 0.87 GRK2 (0.54) PRMT3GRK2GRK3IMPDH2NOTUM
SCHEMBL3606333 0.86 IMPDH2 (0.58) PRMT3IMPDH2NOTUMROCK2
SCHEMBL19860040 0.85 PRMT3 (0.53) PRMT3IMPDH2NOTUMROCK2
SCHEMBL3600167 0.84 IMPDH2 (0.74) PRMT3GRK2IMPDH2NOTUMROCK2
SCHEMBL19860064 0.83 PRMT3 (0.54) PRMT3IMPDH2NOTUMROCK2

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 15 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
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-20100093790-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-04-15 US 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-20090069371-A1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2009-03-12 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
US-7470787-B2 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-7470787-B2 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-20070142429-A1 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-20070142429-A1 Isoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-21 US 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 2666/4885GRK2 2/4885GRK3 3/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 PRMT3 2666/4885GRK2 2/4885GRK3 3/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 PRMT3 2666/4885GRK2 2/4885GRK3 3/4885

“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.