SCHEMBL3724941

SCHEMBL3724941

CN(CCC(=O)O)Cc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
HDAC1 Q13547 8/20 0.39
LTA4H P09960 3/20 0.37
PYCR1 P32322 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4150523 0.87 LTA4H (0.38) HDAC1LTA4HPYCR1
SCHEMBL4173616 0.86 PRMT6 (0.42) KDM4AKDM4CHDAC1
SCHEMBL3670575 0.84 LTA4H (0.38) LTA4HPYCR1
SCHEMBL3672635 0.82 SIGMAR1 (0.36) HDAC1LTA4HPYCR1
SCHEMBL4165962 0.81 ALDH1A1 (0.33) PYCR1
SCHEMBL27808224 0.80 FFAR1 (0.56)
SCHEMBL3668815 0.78 HRH3 (0.57) PYCR1TSHR
SCHEMBL3662196 0.77 S1PR1 (0.44) HDAC1
SCHEMBL4158865 0.77 ABCC4 (0.53) TSHR
SCHEMBL3668234 0.76 FFAR1 (0.37) KDM4CHDAC1

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 5 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
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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 KDM4A 210/4885KDM4C 419/4885HDAC1 3723/4885

“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.