SCHEMBL3597487

SCHEMBL3597487

O=C(CNc1ccc(C(=O)Nc2ccccc2F)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
HDAC1 Q13547 10/20 0.52
NAMPT P43490 1/20 0.50
ROCK2 O75116 1/20 0.50
IMPDH2 P12268 3/20 0.48
NOTUM Q6P988 2/20 0.48
PRMT3 O60678 1/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL3593204 0.88 ROCK2 (0.50) RAB9AROCK2IMPDH2NOTUMPRMT3
SCHEMBL3585236 0.84 IMPDH2 (0.52) RAB9AIMPDH2NOTUMPRMT3
SCHEMBL13913490 0.83 SMN1; SMN2 (0.58) RAB9ANAMPTIMPDH2
SCHEMBL3598434 0.83 IMPDH2 (0.69) ROCK2IMPDH2NOTUMPRMT3
SCHEMBL3602258 0.82 IMPDH2 (0.58) RAB9AROCK2IMPDH2NOTUMPRMT3
SCHEMBL14625937 0.81 ROCK2 (0.60) ROCK2IMPDH2NOTUMPRMT3
SCHEMBL3595348 0.78 ROCK2 (0.60) RAB9AROCK2IMPDH2NOTUMPRMT3
SCHEMBL3586989 0.78 IMPDH2 (0.60) RAB9AROCK2IMPDH2NOTUMPRMT3
SCHEMBL3593323 0.78 ROCK2 (0.58) ROCK2IMPDH2NOTUMPRMT3
SCHEMBL3588716 0.77 IMPDH2 (0.70) ROCK2IMPDH2NOTUMPRMT3

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 8 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-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
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
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 RAB9A 285/4885HDAC1 2491/4885NAMPT 2230/4885
US-20070142429-A1 Isoquinoline compounds GNAQ, GRK2, GRK3 RAB9A 285/4885HDAC1 2491/4885NAMPT 2230/4885
US-20100093790-A1 ISOQUINOLINE COMPOUNDS GNAQ, GRK2, GRK3 RAB9A 285/4885HDAC1 2491/4885NAMPT 2230/4885

“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.