SCHEMBL4428374

SCHEMBL4428374

NC(=O)OCC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.62
IMPDH2 P12268 4/20 0.54
PRMT3 O60678 4/20 0.54
ROCK2 O75116 7/20 0.51
ROCK1 Q13464 2/20 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
SCHEMBL19860100 0.87 NOTUM (0.65) NOTUMIMPDH2PRMT3ROCK2
SCHEMBL19860094 0.84 NOTUM (0.68) NOTUMIMPDH2PRMT3ROCK2ROCK1
SCHEMBL19860063 0.83 NOTUM (0.64) NOTUMIMPDH2PRMT3ROCK2
SCHEMBL12201759 0.82 IMPDH2 (0.61) NOTUMIMPDH2PRMT3ROCK2ROCK1
SCHEMBL28407298 0.82 KMT2A (0.62)
SCHEMBL2162926 0.82 NOTUM (0.59) NOTUMIMPDH2PRMT3ROCK2
SCHEMBL12202000 0.82 NOTUM (0.76) NOTUMIMPDH2PRMT3ROCK2ROCK1
SCHEMBL19860096 0.82 NOTUM (0.65) NOTUMIMPDH2PRMT3
Hydrochloric Acid SCHEMBL3564762 0.81 IMPDH2 (0.59) NOTUMIMPDH2PRMT3ROCK2ROCK1
Hydrochloric Acid SCHEMBL2162309 0.81 IMPDH2 (0.59) NOTUMIMPDH2PRMT3ROCK2ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455647-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110319390-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
EP-2118064-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2009-11-18 EP disclosed
WO-2008086269-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2008-07-17 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 (1 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-20110319390-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK NOTUM 3635/4885IMPDH2 2131/4885PRMT3 1026/4885

“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.