SCHEMBL4155573

SCHEMBL4155573

Cc1cccc(-c2cc(-c3cncc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
ACACB O00763 1/20 0.36
MAPK1 P28482 1/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
JAK1 P23458 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
TGFBR2 P37173 1/20 0.33
ROCK2 O75116 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SCN9A Q15858 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL3795813 1.00 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8ACACBMAPK1
SCHEMBL4167375 1.00 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8ACACBMAPK1
SCHEMBL3718462 0.87 TGFBR1 (0.38) TGFBR1CYP3A4CYP2C8ACACBMAPK1
SCHEMBL3808160 0.85 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8ACACBPIP4K2A
SCHEMBL3670900 0.85 CYP3A4 (0.42) TGFBR1CYP3A4CYP2C8ACACBPIP4K2A
SCHEMBL4148983 0.82 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8ACACBJAK1
SCHEMBL27808299 0.82 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8ACACBPIP4K2A
SCHEMBL27828788 0.82 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8ACACBPIP4K2A
SCHEMBL27808298 0.82 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8ACACBPIP4K2A
SCHEMBL4159506 0.82 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8ACACBPIP4K2A

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.