SCHEMBL3666063

SCHEMBL3666063

OCCNCc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
CD274 Q9NZQ7 7/20 0.46
PDCD1 Q15116 3/20 0.46
MCHR1 Q99705 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
VSIR Q9H7M9 2/20 0.36
PDCD1LG2 Q9BQ51 3/20 0.36
CHEK1 O14757 2/20 0.34
FLT3 P36888 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL3667596 0.92 MEN1 (0.43) SMN1; SMN2CD274PDCD1MCHR1HRH4
SCHEMBL3662196 0.83 S1PR1 (0.44) SMN1; SMN2ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL3666546 0.83 PRMT6 (0.48) SMN1; SMN2CD274PDCD1VSIR
SCHEMBL29142174 0.81 CHRM2 (0.38) SMN1; SMN2CD274PDCD1ALDH1A1TSHR
SCHEMBL3668234 0.80 FFAR1 (0.37) ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL3663742 0.80 ADRB2 (0.42) HRH4HRH3MKNK1MKNK2CHEK1
SCHEMBL3662222 0.79 MKNK1 (0.53) TSHRMKNK1MKNK2CHEK1
SCHEMBL4167973 0.77 PPID (0.38) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3664072 0.76 SCN8A (0.46) CD274PDCD1VSIRMEN1KMT2A
SCHEMBL21052776 0.76 SMN1; SMN2 (0.62) SMN1; SMN2CD274PDCD1MCHR1HRH4

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 SMN1; SMN2 3064/4885CD274 558/4885PDCD1 814/4885

“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.