SCHEMBL4167336

SCHEMBL4167336

Cc1cccc(-c2nc(-c3cncc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
MAP3K5 Q99683 6/20 0.40
JAK1 P23458 2/20 0.39
IGF1R P08069 1/20 0.38
ESR2 Q92731 1/20 0.38
ROCK2 O75116 1/20 0.37
TGFBR1 P36897 2/20 0.36
TGFBR2 P37173 2/20 0.36
CYP11B2 P19099 1/20 0.35
GRM5 P41594 1/20 0.35
CRBN Q96SW2 1/20 0.35
KDM1A O60341 1/20 0.34
MAPK1 P28482 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
SCHEMBL4156942 0.97 ESR2 (0.41) NR1H2MAP3K5JAK1IGF1RESR2
SCHEMBL4152453 0.85 JAK1 (0.50) JAK1CYP11B2GRM5
SCHEMBL3726133 0.81 ROCK2 (0.39) JAK1ROCK2TGFBR1TGFBR2
SCHEMBL4149812 0.78 TGFBR1 (0.41) MAP3K5TGFBR1TGFBR2
SCHEMBL4165667 0.77 TGFBR1 (0.39) JAK1TGFBR1TGFBR2
SCHEMBL4159014 0.77 PLK4 (0.44) TGFBR1TGFBR2
SCHEMBL3669196 0.77 MAP3K11 (0.46) TGFBR1TGFBR2
SCHEMBL3718462 0.76 TGFBR1 (0.38) ROCK2TGFBR1TGFBR2MAPK1
SCHEMBL4157859 0.76 TGFBR1 (0.41) TGFBR1TGFBR2
SCHEMBL3724252 0.76 TGFBR1 (0.45) TGFBR1TGFBR2

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 NR1H2 1965/4885MAP3K5 248/4885JAK1 29/4885

“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.