SCHEMBL4149109

SCHEMBL4149109

COC(=O)CNCc1cccc(-c2cncc(-c3cc(-c4cccc(C)n4)nc4[nH]ccc34)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CDK8 P49336 7/20 0.36
VSIR Q9H7M9 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TNIK Q9UKE5 1/20 0.34
CFD P00746 1/20 0.34
ROCK1 Q13464 2/20 0.33
TGFBR2 P37173 1/20 0.33
HPGDS O60760 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
FES P07332 1/20 0.33
RET P07949 1/20 0.33
ROS1 P08922 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
SCHEMBL4158052 0.92 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL4149178 0.92 VSIR (0.43) TGFBR1CYP3A4CYP2C8CDK8VSIR
SCHEMBL4158503 0.90 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8CDK8CYP11B1
SCHEMBL27808216 0.88 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8CDK8CFD
SCHEMBL4156629 0.87 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8CDK8VSIR
SCHEMBL3664849 0.86 CYP3A4 (0.43) TGFBR1CYP3A4CYP2C8CDK8VSIR
SCHEMBL4156341 0.85 CYP3A4 (0.39) TGFBR1CYP3A4CYP2C8CDK8CYP11B1
SCHEMBL3804408 0.85 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8CDK8TGFBR2
SCHEMBL3797278 0.84 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8CDK8CYP11B1
SCHEMBL4155004 0.84 CDK8 (0.49) TGFBR1CYP3A4CYP2C8CDK8CFD

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 TGFBR1 128/4885CYP3A4 111/4885CYP2C8 1297/4885

“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.