SCHEMBL3592811

SCHEMBL3592811

O=C(CNc1cccc(OCc2ccccc2)c1)Nc1ccc2cnccc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 4/20 0.59
GRK3 P35626 3/20 0.59
GRK5 P34947 2/20 0.59
NOTUM Q6P988 5/20 0.58
ROCK2 O75116 1/20 0.57
IMPDH2 P12268 2/20 0.54
PRMT3 O60678 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.49
F10 P00742 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ROCK1 Q13464 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
SCHEMBL13913488 0.91 ROCK2 (0.65) NOTUMROCK2IMPDH2PRMT3MRGPRX4
SCHEMBL3594471 0.88 IMPDH2 (0.58) GRK2GRK3GRK5NOTUMROCK2
SCHEMBL3598434 0.85 IMPDH2 (0.69) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL3590824 0.84 NOTUM (0.60) GRK2GRK3GRK5NOTUMROCK2
SCHEMBL13438464 0.84 NOTUM (0.60) GRK2NOTUMROCK2IMPDH2PRMT3
SCHEMBL3595984 0.82 NOTUM (0.58) GRK2NOTUMROCK2IMPDH2PRMT3
SCHEMBL3599829 0.82 ROCK2 (0.57) NOTUMROCK2IMPDH2PRMT3KMT2A
SCHEMBL3606333 0.81 IMPDH2 (0.58) NOTUMROCK2IMPDH2PRMT3ROCK1
SCHEMBL24124983 0.81 MEN1 (0.62) GRK2NOTUMROCK2IMPDH2MRGPRX4
SCHEMBL13913482 0.81 IMPDH2 (0.57) NOTUMROCK2IMPDH2PRMT3ROCK1

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 10 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-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-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 GRK2 2/4885GRK3 3/4885GRK5 5/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 GRK2 2/4885GRK3 3/4885GRK5 5/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 GRK2 2/4885GRK3 3/4885GRK5 5/4885

“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.