SCHEMBL4167789

SCHEMBL4167789

CC(=O)N1CC=C(c2cncc(-c3cc(-c4cccc(C)n4)nc4[nH]ccc34)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
TGFBR1 P36897 1/20 0.41
NAMPT P43490 1/20 0.39
QDPR P09417 1/20 0.39

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
SCHEMBL4154926 0.89 JAK1 (0.55) JAK1CYP3A4CYP2C8TGFBR1NAMPT
SCHEMBL4150805 0.87 TGFBR1 (0.41) JAK1TGFBR1NAMPTQDPR
SCHEMBL4156975 0.81 TGFBR1 (0.47) JAK1CYP3A4CYP2C8TGFBR1
SCHEMBL4150495 0.80 TGFBR1 (0.48) CYP3A4CYP2C8TGFBR1
SCHEMBL4152453 0.76 JAK1 (0.50) JAK1NAMPT
SCHEMBL4153898 0.75 TGFBR1 (0.53) CYP3A4CYP2C8TGFBR1
SCHEMBL27808292 0.75 TGFBR1 (0.43) JAK1CYP3A4CYP2C8TGFBR1
SCHEMBL4165292 0.74 TGFBR1 (0.47) JAK1CYP3A4CYP2C8TGFBR1
SCHEMBL27808284 0.74 TGFBR1 (0.42) JAK1CYP3A4CYP2C8TGFBR1
SCHEMBL4151363 0.73 TGFBR1 (0.53) CYP3A4CYP2C8TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
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 29/4885CYP3A4 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.