SCHEMBL3724252

SCHEMBL3724252

Cc1cccc(-c2nc(-c3cncc(NC(=O)OC(C)(C)C)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.45
TGFBR2 P37173 5/20 0.45
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
HPGDS O60760 3/20 0.38
CYP17A1 P05093 1/20 0.38
NAMPT P43490 1/20 0.37
ACACB O00763 1/20 0.37
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
PIKFYVE Q9Y2I7 1/20 0.35
JAK3 P52333 1/20 0.35
MELK Q14680 1/20 0.35
BCL2 P10415 1/20 0.34

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
SCHEMBL3719671 0.90 TGFBR1 (0.41) TGFBR1TGFBR2CYP3A4CYP2C8HPGDS
SCHEMBL4148983 0.86 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8HPGDS
SCHEMBL3665916 0.85 HPGDS (0.56) TGFBR1TGFBR2CYP3A4CYP2C8HPGDS
SCHEMBL4165667 0.84 TGFBR1 (0.39) TGFBR1TGFBR2CYP3A4CYP2C8CYP17A1
SCHEMBL4158556 0.84 ACACB (0.39) TGFBR1TGFBR2CYP3A4CYP2C8ACACB
SCHEMBL3724304 0.83 TGFBR1 (0.46) TGFBR1TGFBR2CYP3A4CYP2C8HPGDS
SCHEMBL3672577 0.83 TGFBR1 (0.46) TGFBR1TGFBR2CYP3A4CYP2C8HPGDS
SCHEMBL3718462 0.83 TGFBR1 (0.38) TGFBR1TGFBR2CYP3A4CYP2C8ACACB
SCHEMBL3723829 0.81 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3800944 0.81 HPGDS (0.59) TGFBR1TGFBR2CYP3A4CYP2C8HPGDS

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 4 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
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 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.