SCHEMBL4173616

SCHEMBL4173616

CN(CCC(=O)O)Cc1cccc(-c2c[c]cnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 8/20 0.42
PTGES O14684 1/20 0.40
AOC3 Q16853 4/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
ABHD6 Q9BV23 1/20 0.39
FFAR1 O14842 1/20 0.39
HDAC1 Q13547 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4155263 0.88 AOC3 (0.43) PTGESAOC3ABHD6
SCHEMBL3667316 0.86 PDCD1 (0.39) PRMT6AOC3
SCHEMBL3724941 0.86 KDM4A (0.40) KDM4AKDM4CHDAC1
SCHEMBL4151005 0.84 PRMT6 (0.37) PRMT6AOC3BCHEACHE
SCHEMBL3724516 0.83 AOC3 (0.41) PRMT6PTGESAOC3ABHD6
SCHEMBL3724410 0.82 FFAR1 (0.48) FFAR1
SCHEMBL3667382 0.80 HTR7 (0.43) PRMT6AOC3ABHD6
SCHEMBL3663779 0.79 FFAR1 (0.42) PRMT6AOC3KDM4CFFAR1HDAC1
SCHEMBL3730365 0.79 GRIN2D (0.47) PRMT6
SCHEMBL3666969 0.79 VSIR (0.43) PRMT6AOC3KDM4CFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed

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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PRMT6 1956/4885PTGES 2577/4885AOC3 3251/4885

“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.