SCHEMBL3672635

SCHEMBL3672635

CN(CCCO)Cc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
PYCR1 P32322 2/20 0.35
LTA4H P09960 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRMT6 Q96LA8 2/20 0.34
HDAC1 Q13547 2/20 0.33
ACHE P22303 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
BCHE P06276 1/20 0.33
MAOB P27338 1/20 0.33
ACKR3 P25106 2/20 0.33

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
SCHEMBL3670575 0.92 LTA4H (0.38) PYCR1LTA4HHRH3PRMT6
SCHEMBL4151005 0.85 PRMT6 (0.37) SIGMAR1PRMT6ACHEBCHEACKR3
SCHEMBL3724941 0.82 KDM4A (0.40) PYCR1LTA4HHDAC1
SCHEMBL3668815 0.80 HRH3 (0.57) PYCR1HRH3
SCHEMBL4150523 0.79 LTA4H (0.38) PYCR1LTA4HHRH3HDAC1
SCHEMBL3667316 0.77 PDCD1 (0.39) LTA4HPRMT6
SCHEMBL4165962 0.76 ALDH1A1 (0.33) PYCR1ACHE
SCHEMBL3662222 0.75 MKNK1 (0.53)
SCHEMBL3667596 0.73 MEN1 (0.43) SIGMAR1HRH3HDAC1
SCHEMBL4155265 0.71 KIF11 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US 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 SIGMAR1 1230/4885PYCR1 407/4885LTA4H 729/4885

“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.