SCHEMBL3588716

SCHEMBL3588716

Cc1ccc(NCC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.70
NOTUM Q6P988 5/20 0.61
ROCK2 O75116 2/20 0.60
PRMT3 O60678 6/20 0.59
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
NLRP1 Q9C000 1/20 0.52
ROCK1 Q13464 1/20 0.50

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
SCHEMBL3598434 0.88 IMPDH2 (0.69) IMPDH2NOTUMROCK2PRMT3ROCK1
SCHEMBL3600167 0.88 IMPDH2 (0.74) IMPDH2NOTUMROCK2PRMT3KMT2A
SCHEMBL3593343 0.88 ACHE (0.61) IMPDH2NOTUMROCK2PRMT3
SCHEMBL14625937 0.87 ROCK2 (0.60) IMPDH2NOTUMROCK2PRMT3ROCK1
SCHEMBL3603765 0.86 PRMT3 (0.56) IMPDH2NOTUMPRMT3MAPTKMT2A
SCHEMBL13913491 0.85 NOTUM (0.56) IMPDH2NOTUMROCK2PRMT3ALDH1A1
SCHEMBL3599005 0.84 NOTUM (0.57) IMPDH2NOTUMROCK2PRMT3
SCHEMBL3594442 0.83 PRMT3 (0.56) IMPDH2NOTUMROCK2PRMT3ROCK1
SCHEMBL3602258 0.83 IMPDH2 (0.58) IMPDH2NOTUMROCK2PRMT3ROCK1
SCHEMBL3585236 0.83 IMPDH2 (0.52) IMPDH2NOTUMPRMT3ALDH1A1KMT2A

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 IMPDH2 2567/4885NOTUM 4507/4885ROCK2 70/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 IMPDH2 2567/4885NOTUM 4507/4885ROCK2 70/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 IMPDH2 2567/4885NOTUM 4507/4885ROCK2 70/4885

“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.