SCHEMBL4154920

SCHEMBL4154920

COC(=O)CN(Cc1cccc(-c2cncc(-c3nc(-c4cccc(C)n4)nc4[nH]ccc34)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.35
TGFBR2 P37173 2/20 0.35
HDAC1 Q13547 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
PPARA Q07869 3/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDK8 P49336 3/20 0.31
ACACB O00763 1/20 0.31
PDK1 Q15118 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL4150410 0.94 TGFBR1 (0.36) TGFBR1TGFBR2HDAC1CYP3A4CYP2C8
SCHEMBL3728613 0.94 PPARA (0.36) TGFBR1TGFBR2HDAC1CYP3A4CYP2C8
SCHEMBL27828792 0.90 TGFBR1 (0.36) TGFBR1TGFBR2HDAC1CYP3A4CYP2C8
SCHEMBL4167086 0.89 CYP3A4 (0.38) TGFBR1HDAC1CYP3A4CYP2C8PPARA
SCHEMBL4150696 0.88 TGFBR1 (0.38) TGFBR1TGFBR2CYP3A4CYP2C8ROCK2
SCHEMBL3727835 0.87 TGFBR1 (0.36) TGFBR1TGFBR2HDAC1CYP3A4CYP2C8
SCHEMBL27808346 0.83 TGFBR1 (0.37) TGFBR1TGFBR2HDAC1CYP3A4CYP2C8
SCHEMBL3796758 0.82 CYP3A4 (0.38) TGFBR1CYP3A4CYP2C8PPARAACACB
SCHEMBL4165700 0.81 TGFBR1 (0.39) TGFBR1TGFBR2CYP3A4CYP2C8ROCK1
SCHEMBL4156629 0.81 TGFBR1 (0.39) TGFBR1TGFBR2CYP3A4CYP2C8ROCK2

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 2 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
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 443/4885HDAC1 3723/4885

“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.