SCHEMBL4154441

SCHEMBL4154441

Cc1cccc(-c2nc(-c3cncc(-c4ccc(C(=O)N5CCNCC5)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 16/20 0.52
CDK8 P49336 16/20 0.52
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PTK2 Q05397 1/20 0.40
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
MAP3K11 Q16584 1/20 0.40

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
SCHEMBL3669196 0.92 MAP3K11 (0.46) CCNCCDK8TGFBR1TGFBR2MAP3K11
SCHEMBL4159014 0.85 PLK4 (0.44) TGFBR1TGFBR2
SCHEMBL3729500 0.81 TGFBR1 (0.48) CDK8TGFBR1TGFBR2
SCHEMBL3724172 0.80 TGFBR1 (0.56) TGFBR1TGFBR2
SCHEMBL4150736 0.80 TGFBR1 (0.42) TGFBR1TGFBR2
SCHEMBL4155524 0.80 MAP3K11 (0.47) CCNCCDK8TGFBR1TGFBR2MAP3K11
SCHEMBL4152923 0.80 TGFBR1 (0.53) TGFBR1TGFBR2
SCHEMBL4158011 0.80 TGFBR1 (0.44) CDK8MKNK1MKNK2TGFBR1TGFBR2
SCHEMBL3666832 0.80 TGFBR1 (0.44) CDK8TGFBR1TGFBR2
SCHEMBL4161342 0.79 TTK (0.46) PTK2TGFBR1TGFBR2

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 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 CCNC 2517/4885CDK8 844/4885MKNK1 3357/4885

“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.