SCHEMBL3602258

SCHEMBL3602258

O=C(CNc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.58
ROCK2 O75116 7/20 0.54
NOTUM Q6P988 4/20 0.54
PRMT3 O60678 3/20 0.53
ROCK1 Q13464 3/20 0.52
NPY5R Q15761 1/20 0.52
GALR3 O60755 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL3606333 0.92 IMPDH2 (0.58) IMPDH2ROCK2NOTUMPRMT3ROCK1
SCHEMBL3598434 0.92 IMPDH2 (0.69) IMPDH2ROCK2NOTUMPRMT3ROCK1
SCHEMBL3595348 0.87 ROCK2 (0.60) IMPDH2ROCK2NOTUMPRMT3ROCK1
SCHEMBL3586989 0.84 IMPDH2 (0.60) IMPDH2ROCK2NOTUMPRMT3RAB9A
SCHEMBL3585236 0.84 IMPDH2 (0.52) IMPDH2NOTUMPRMT3RAB9A
SCHEMBL13913490 0.83 SMN1; SMN2 (0.58) IMPDH2RAB9A
SCHEMBL14625937 0.83 ROCK2 (0.60) IMPDH2ROCK2NOTUMPRMT3ROCK1
SCHEMBL3588716 0.83 IMPDH2 (0.70) IMPDH2ROCK2NOTUMPRMT3ROCK1
SCHEMBL3593041 0.83 IMPDH2 (0.56) IMPDH2ROCK2NOTUMPRMT3
SCHEMBL13913488 0.82 ROCK2 (0.65) IMPDH2ROCK2NOTUMPRMT3ROCK1

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 18 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
WO-2010117084-A1 NOVEL ISOQUINOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO 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 IMPDH2 2567/4885ROCK2 70/4885NOTUM 4507/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 IMPDH2 2567/4885ROCK2 70/4885NOTUM 4507/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 IMPDH2 2567/4885ROCK2 70/4885NOTUM 4507/4885

“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.