SCHEMBL3673418

SCHEMBL3673418

CC(N)c1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
CIT O14578 1/20 0.34
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 2/20 0.33
PDE2A O00408 1/20 0.33
PTGS2 P35354 1/20 0.30

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
SCHEMBL27957058 0.77
SCHEMBL14847066 0.76 ATM (0.46) ADRB2CITROCK2ROCK1PDE2A
SCHEMBL1934462 0.76 ATM (0.46) ADRB2CITROCK2ROCK1PDE2A
SCHEMBL6291238 0.74
SCHEMBL3666465 0.72 AKT1 (0.42) PDE2A
SCHEMBL2958284 0.72 CYP11B1 (0.41)
SCHEMBL7954401 0.72 MAP4K4 (0.40) PTGS2
SCHEMBL1201359 0.71 MAP4K4 (0.44) PTGS2
SCHEMBL443053 0.71 MAPT (0.52)
SCHEMBL3668596 0.71 CYP2A6 (0.53) ADRB2

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 ADRB2 1587/4885CIT 2548/4885ROCK2 1453/4885

“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.