SCHEMBL3593343

SCHEMBL3593343

COc1ccc(NCC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
ROCK2 O75116 5/20 0.61
PRMT3 O60678 5/20 0.57
NOTUM Q6P988 5/20 0.56
IMPDH2 P12268 3/20 0.53
P2RY14 Q15391 1/20 0.51

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
SCHEMBL3599005 0.92 NOTUM (0.57) ACHEROCK2PRMT3NOTUMIMPDH2
SCHEMBL3590824 0.89 NOTUM (0.60) ROCK2PRMT3NOTUMIMPDH2
SCHEMBL13913491 0.88 NOTUM (0.56) ROCK2PRMT3NOTUMIMPDH2
SCHEMBL3588716 0.88 IMPDH2 (0.70) ROCK2PRMT3NOTUMIMPDH2
SCHEMBL19860042 0.86 MEN1 (0.60) ROCK2PRMT3NOTUMIMPDH2
SCHEMBL3598434 0.86 IMPDH2 (0.69) ROCK2PRMT3NOTUMIMPDH2
SCHEMBL19860093 0.85 ROCK2 (0.61) ROCK2PRMT3NOTUMIMPDH2
SCHEMBL14625937 0.85 ROCK2 (0.60) ACHEROCK2PRMT3NOTUMIMPDH2
SCHEMBL3603765 0.84 PRMT3 (0.56) PRMT3NOTUMIMPDH2
SCHEMBL3591267 0.83 NOTUM (0.62) ROCK2PRMT3NOTUMIMPDH2

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 17 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
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
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
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 ACHE 1060/4885ROCK2 70/4885PRMT3 2666/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 ACHE 1060/4885ROCK2 70/4885PRMT3 2666/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 ACHE 1060/4885ROCK2 70/4885PRMT3 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.