SCHEMBL4159506

SCHEMBL4159506

Cc1cccc(-c2cc(-c3cncc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)c(C)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
ACACB O00763 1/20 0.37
JAK1 P23458 4/20 0.34
AAK1 Q2M2I8 6/20 0.33
PIKFYVE Q9Y2I7 1/20 0.33
PIP4K2A P48426 1/20 0.33
PIP4K2B P78356 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
TGFBR2 P37173 2/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
HPGDS O60760 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL3808160 0.90 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL4162984 0.89 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL4150473 0.87 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL4154782 0.83 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PIKFYVEPIP4K2A
SCHEMBL3670900 0.82 CYP3A4 (0.42) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL4156980 0.82 ACACB (0.43) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL4167375 0.82 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL4155573 0.82 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL3795813 0.82 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL4148983 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8ACACBJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.