SCHEMBL4157078

SCHEMBL4157078

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
TGFBR1 P36897 1/20 0.41
CDK8 P49336 3/20 0.38
PDCD1 Q15116 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
PRMT6 Q96LA8 7/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HPGDS O60760 2/20 0.34
JAK1 P23458 1/20 0.34
CFD P00746 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
SCHEMBL4162033 0.92 TGFBR1 (0.42) CYP3A4CYP2C8TGFBR1PDCD1CD274
SCHEMBL4163539 0.92 TGFBR1 (0.44) CYP3A4CYP2C8TGFBR1CDK8PDCD1
SCHEMBL4159244 0.89 TGFBR1 (0.45) CYP3A4CYP2C8TGFBR1CDK8PRKCQ
SCHEMBL4150529 0.88 CYP3A4 (0.40) CYP3A4CYP2C8TGFBR1CDK8CD274
SCHEMBL4155004 0.87 CDK8 (0.49) CYP3A4CYP2C8TGFBR1CDK8CFD
SCHEMBL4156341 0.87 CYP3A4 (0.39) CYP3A4CYP2C8TGFBR1CDK8CD274
SCHEMBL3722712 0.86 TGFBR1 (0.39) CYP3A4CYP2C8TGFBR1CDK8PDCD1
SCHEMBL4155519 0.86 TGFBR1 (0.45) CYP3A4CYP2C8TGFBR1PDCD1CD274
SCHEMBL27808283 0.86 TGFBR1 (0.39) CYP3A4CYP2C8TGFBR1CDK8PRMT6
SCHEMBL3664849 0.84 CYP3A4 (0.43) CYP3A4CYP2C8TGFBR1CDK8PDCD1

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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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 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.