SCHEMBL4155004

SCHEMBL4155004

Cc1cccc(-c2cc(-c3cncc(-c4cccc(CO)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.49
TGFBR1 P36897 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
TGFBR2 P37173 1/20 0.37
PRKCI P41743 1/20 0.36
CYP2A6 P11509 1/20 0.36
NUDT1 P36639 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
CFD P00746 1/20 0.35
MAP2K4 P45985 1/20 0.34
FYN P06241 1/20 0.34
DHODH Q02127 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
SCHEMBL4157242 0.92 TGFBR1 (0.50) CDK8TGFBR1CYP3A4CYP2C8PIK3CA
SCHEMBL3664985 0.91 TGFBR1 (0.47) CDK8TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4158256 0.90 CDK8 (0.49) CDK8TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL3804408 0.89 TGFBR1 (0.46) CDK8TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL3664849 0.89 CYP3A4 (0.43) CDK8TGFBR1CYP3A4CYP2C8
SCHEMBL3797278 0.89 TGFBR1 (0.44) CDK8TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4159244 0.88 TGFBR1 (0.45) CDK8TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4157078 0.87 CYP3A4 (0.41) CDK8TGFBR1CYP3A4CYP2C8CFD
SCHEMBL4158503 0.87 TGFBR1 (0.43) CDK8TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL27808284 0.86 TGFBR1 (0.42) CDK8TGFBR1CYP3A4CYP2C8TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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 CDK8 844/4885TGFBR1 128/4885CYP3A4 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.