SCHEMBL3593041

SCHEMBL3593041

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.56
NOTUM Q6P988 5/20 0.55
PRMT3 O60678 4/20 0.54
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.49
ROCK2 O75116 1/20 0.47
TSHR P16473 1/20 0.47
GRK2 P25098 1/20 0.47
GRK3 P35626 1/20 0.47

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
SCHEMBL3598327 0.90 PRMT3 (0.56) IMPDH2NOTUMPRMT3ROCK2GRK2
SCHEMBL3587855 0.90 NOTUM (0.55) IMPDH2NOTUMPRMT3ALDH1A1MAPT
SCHEMBL3592528 0.90 GRK2 (0.54) IMPDH2NOTUMPRMT3ROCK2GRK2
SCHEMBL3606333 0.89 IMPDH2 (0.58) IMPDH2NOTUMPRMT3ROCK2
SCHEMBL3586989 0.88 IMPDH2 (0.60) IMPDH2NOTUMPRMT3ALDH1A1ROCK2
SCHEMBL13913479 0.88 GRK2 (0.54) IMPDH2NOTUMPRMT3ALDH1A1HTT
SCHEMBL3600167 0.87 IMPDH2 (0.74) IMPDH2NOTUMPRMT3ROCK2GRK2
SCHEMBL3581150 0.87 GRK2 (0.61) IMPDH2NOTUMALDH1A1TSHRGRK2
SCHEMBL3598434 0.86 IMPDH2 (0.69) IMPDH2NOTUMPRMT3ROCK2
SCHEMBL3590824 0.85 NOTUM (0.60) IMPDH2NOTUMPRMT3ALDH1A1ROCK2

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 IMPDH2 2567/4885NOTUM 4507/4885PRMT3 2666/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 IMPDH2 2567/4885NOTUM 4507/4885PRMT3 2666/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 IMPDH2 2567/4885NOTUM 4507/4885PRMT3 2666/4885

“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.