SCHEMBL4156341

SCHEMBL4156341

COC(=O)CN(C)Cc1cccc(-c2cncc(-c3cc(-c4cccc(C)n4)nc4[nH]ccc34)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
TGFBR1 P36897 1/20 0.39
CDK8 P49336 6/20 0.35
HPGDS O60760 2/20 0.34
JAK1 P23458 2/20 0.34
AOC3 Q16853 2/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
CFD P00746 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4153816 0.93 TGFBR1 (0.40) CYP3A4CYP2C8TGFBR1HPGDSJAK1
SCHEMBL4150529 0.92 CYP3A4 (0.40) CYP3A4CYP2C8TGFBR1CDK8HPGDS
SCHEMBL4158503 0.88 TGFBR1 (0.43) CYP3A4CYP2C8TGFBR1CDK8HPGDS
SCHEMBL27808283 0.88 TGFBR1 (0.39) CYP3A4CYP2C8TGFBR1CDK8HPGDS
SCHEMBL4150696 0.87 TGFBR1 (0.38) CYP3A4CYP2C8TGFBR1CDK8AOC3
SCHEMBL4167086 0.87 CYP3A4 (0.38) CYP3A4CYP2C8TGFBR1CDK8JAK1
SCHEMBL4157078 0.87 CYP3A4 (0.41) CYP3A4CYP2C8TGFBR1CDK8HPGDS
SCHEMBL4159244 0.86 TGFBR1 (0.45) CYP3A4CYP2C8TGFBR1CDK8HPGDS
SCHEMBL4149109 0.85 TGFBR1 (0.40) CYP3A4CYP2C8TGFBR1CDK8HPGDS
SCHEMBL4155882 0.84 TGFBR1 (0.41) CYP3A4CYP2C8TGFBR1HPGDSJAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US 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 CYP3A4 111/4885CYP2C8 1297/4885TGFBR1 128/4885

“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.