SCHEMBL3671159

SCHEMBL3671159

COc1ccc(-c2cncc(-c3nc(-c4cccc(C)n4)nc4[nH]ccc34)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.45
TGFBR2 P37173 2/20 0.45
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAPK14 Q16539 2/20 0.40
MAP4K4 O95819 1/20 0.39
PDPK1 O15530 1/20 0.39
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.38
ACP1 P24666 2/20 0.37
THRB P10828 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL4154308 0.91 TGFBR1 (0.44) TGFBR1TGFBR2CYP3A4CYP2C8CYP11B1
SCHEMBL4165468 0.91 TGFBR1 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8CYP11B1
SCHEMBL3729500 0.89 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8MAPK14
SCHEMBL3724172 0.88 TGFBR1 (0.56) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4152923 0.88 TGFBR1 (0.53) TGFBR1TGFBR2CYP3A4CYP2C8MAPK14
SCHEMBL4164082 0.86 TGFBR1 (0.45) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4158011 0.85 TGFBR1 (0.44) TGFBR1TGFBR2CYP3A4CYP2C8MAPK14
SCHEMBL3666832 0.85 TGFBR1 (0.44) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4165337 0.85 TGFBR1 (0.52) TGFBR1TGFBR2CYP3A4CYP2C8MAPK1
SCHEMBL4159455 0.84 TGFBR1 (0.43) TGFBR1TGFBR2CYP3A4CYP2C8CYP11B1

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
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US 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
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed

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 TGFBR1 128/4885TGFBR2 443/4885CYP3A4 111/4885

“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.