SCHEMBL3591267

SCHEMBL3591267

COc1ccccc1NCC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.62
IMPDH2 P12268 3/20 0.55
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
PRMT3 O60678 3/20 0.52
ROCK2 O75116 5/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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 0.84 NOTUM (0.57) NOTUMIMPDH2PRMT3ROCK2
SCHEMBL3590824 0.83 NOTUM (0.60) NOTUMIMPDH2PRMT3ROCK2MEN1
SCHEMBL3593343 0.83 ACHE (0.61) NOTUMIMPDH2PRMT3ROCK2
SCHEMBL18101889 0.81 ROCK2 (0.59) NOTUMGAAMAPTROCK2MEN1
SCHEMBL3598434 0.81 IMPDH2 (0.69) NOTUMIMPDH2PRMT3ROCK2
SCHEMBL3594471 0.78 IMPDH2 (0.58) NOTUMIMPDH2PRMT3ROCK2ALDH1A1
SCHEMBL14625937 0.78 ROCK2 (0.60) NOTUMIMPDH2PRMT3ROCK2
SCHEMBL3588716 0.78 IMPDH2 (0.70) NOTUMIMPDH2MAPTPRMT3ROCK2
SCHEMBL3595984 0.77 NOTUM (0.58) NOTUMIMPDH2MAPTPRMT3ROCK2
SCHEMBL3587855 0.77 NOTUM (0.55) NOTUMIMPDH2MAPTPRMT3ROCK2

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 14 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

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 NOTUM 4507/4885IMPDH2 2567/4885GAA 1012/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 NOTUM 4507/4885IMPDH2 2567/4885GAA 1012/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 NOTUM 4507/4885IMPDH2 2567/4885GAA 1012/4885

“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.