SCHEMBL3557637

SCHEMBL3557637

CC(C)(C)CC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 8/20 0.60
▸ IMPDH2 P12268 5/20 0.59
▸ NOTUM Q6P988 5/20 0.58
▸ AAK1 Q2M2I8 1/20 0.55
▸ ROCK2 O75116 1/20 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
SCHEMBL23518425 0.87 HPGD (0.63) —
SCHEMBL12201798 0.84 PRMT3 (0.64) PRMT3IMPDH2NOTUMROCK2
SCHEMBL30176801 0.83 KDM4E (0.66) PRMT3IMPDH2NOTUMROCK2
Hydrochloric Acid SCHEMBL111600 0.83 PRMT3 (0.62) PRMT3IMPDH2NOTUMROCK2
SCHEMBL20262924 0.83 KDM4E (0.66) PRMT3IMPDH2NOTUMROCK2
SCHEMBL19860095 0.82 IMPDH2 (0.62) PRMT3IMPDH2NOTUMROCK2
SCHEMBL16634909 0.82 PRMT3 (0.61) PRMT3IMPDH2NOTUMAAK1
SCHEMBL2162755 0.81 NOTUM (0.62) PRMT3IMPDH2NOTUMROCK2
SCHEMBL12201759 0.81 IMPDH2 (0.61) PRMT3IMPDH2NOTUMROCK2
SCHEMBL20353507 0.81 IMPDH2 (0.63) PRMT3IMPDH2NOTUMAAK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 — — US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 — — 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 (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-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885NOTUM 3635/4885

“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.

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