SCHEMBL3728613

SCHEMBL3728613

Cc1cccc(-c2nc(-c3cncc(-c4cccc(CN(CC(=O)O)C(=O)OC(C)(C)C)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.36
TGFBR1 P36897 3/20 0.36
TGFBR2 P37173 2/20 0.36
PPARG P37231 11/20 0.34
HDAC1 Q13547 2/20 0.33
ACACB O00763 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32

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
SCHEMBL4154920 0.94 TGFBR1 (0.35) PPARATGFBR1TGFBR2HDAC1ACACB
SCHEMBL3727835 0.94 TGFBR1 (0.36) PPARATGFBR1TGFBR2PPARGHDAC1
SCHEMBL27828792 0.90 TGFBR1 (0.36) TGFBR1TGFBR2HDAC1ACACBHDAC3
SCHEMBL3796758 0.88 CYP3A4 (0.38) PPARATGFBR1PPARGACACBCYP3A4
SCHEMBL4150410 0.87 TGFBR1 (0.36) TGFBR1TGFBR2HDAC1ACACBHDAC3
SCHEMBL4165700 0.86 TGFBR1 (0.39) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4301753 0.85 TGFBR1 (0.38) PPARATGFBR1TGFBR2PPARGCYP3A4
SCHEMBL27808346 0.84 TGFBR1 (0.37) TGFBR1TGFBR2HDAC1HDAC3HDAC2
SCHEMBL4150696 0.82 TGFBR1 (0.38) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4167086 0.82 CYP3A4 (0.38) PPARATGFBR1HDAC1ACACBCYP3A4

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
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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 PPARA 765/4885TGFBR1 128/4885TGFBR2 443/4885

“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.