SCHEMBL4149178

SCHEMBL4149178

Cc1cccc(-c2cc(-c3cncc(-c4cccc(CNCC(=O)O)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 1/20 0.43
TGFBR1 P36897 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CFD P00746 1/20 0.38
CDK8 P49336 7/20 0.37
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
FES P07332 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
FER P16591 1/20 0.36
FLT1 P17948 1/20 0.36
AXL P30530 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL3661771 0.92 TGFBR1 (0.42) VSIRTGFBR1CYP3A4CYP2C8CFD
SCHEMBL4149109 0.92 TGFBR1 (0.40) VSIRTGFBR1CYP3A4CYP2C8CFD
SCHEMBL3797278 0.89 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8CFDCDK8
SCHEMBL3664849 0.88 CYP3A4 (0.43) VSIRTGFBR1CYP3A4CYP2C8CDK8
SCHEMBL27808216 0.87 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8CFDCDK8
SCHEMBL4150455 0.86 TGFBR1 (0.40) VSIRTGFBR1CYP3A4CYP2C8CDK8
SCHEMBL3804408 0.86 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8CDK8TGFBR2
SCHEMBL4158546 0.86 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8PDCD1CD274
SCHEMBL4155004 0.85 CDK8 (0.49) TGFBR1CYP3A4CYP2C8CFDCDK8
SCHEMBL4150529 0.85 CYP3A4 (0.40) TGFBR1CYP3A4CYP2C8CFDCDK8

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 VSIR 3811/4885TGFBR1 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.