SCHEMBL4159244

SCHEMBL4159244

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
PRKCQ Q04759 3/20 0.43
PRKCD Q05655 3/20 0.43
CDK8 P49336 4/20 0.36
TGFBR2 P37173 1/20 0.36
PRKCB P05771 1/20 0.35
LCK P06239 1/20 0.35
LYN P07948 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
HPGDS O60760 2/20 0.35
PARP1 P09874 1/20 0.35
CYP2A6 P11509 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 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
SCHEMBL4154586 0.94 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4155020 0.91 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4157078 0.89 CYP3A4 (0.41) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4155004 0.88 CDK8 (0.49) TGFBR1CYP3A4CYP2C8CDK8TGFBR2
SCHEMBL4158256 0.88 CDK8 (0.49) TGFBR1CYP3A4CYP2C8CDK8TGFBR2
SCHEMBL4150529 0.88 CYP3A4 (0.40) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL3804408 0.87 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8CDK8TGFBR2
SCHEMBL4160319 0.87 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4156341 0.86 CYP3A4 (0.39) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL27808283 0.86 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8PRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 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 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.