SCHEMBL4152453

SCHEMBL4152453

Cc1cccc(-c2nc(-c3cncc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.50
CYP11B2 P19099 1/20 0.46
NAMPT P43490 1/20 0.40
GRM1 Q13255 8/20 0.40
GRM5 P41594 7/20 0.40
BRD4 O60885 1/20 0.39
WNT3A P56704 1/20 0.39
SOS1 Q07889 1/20 0.39
PDK4 Q16654 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CDK7 P50613 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38

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
SCHEMBL4150805 0.89 TGFBR1 (0.41) JAK1NAMPTSOS1
SCHEMBL4154926 0.88 JAK1 (0.55) JAK1CYP11B2NAMPTGRM1GRM5
SCHEMBL4156942 0.85 ESR2 (0.41) JAK1CYP11B2NAMPTGRM5
SCHEMBL4167336 0.85 NR1H2 (0.41) JAK1CYP11B2GRM5
SCHEMBL4159298 0.83 TGFBR1 (0.41)
SCHEMBL3726133 0.78 ROCK2 (0.39) JAK1
SCHEMBL4156960 0.78 TGFBR1 (0.43) JAK1
SCHEMBL3724252 0.78 TGFBR1 (0.45) NAMPT
SCHEMBL3667334 0.77 TGFBR1 (0.43) JAK1
SCHEMBL3732917 0.77 TGFBR1 (0.43) SOS1

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 JAK1 29/4885CYP11B2 1994/4885NAMPT 3303/4885

“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.