SCHEMBL4301753

SCHEMBL4301753

CCN(CC(=O)O)Cc1cccc(-c2cncc(-c3nc(-c4cccc(C)n4)nc4[nH]ccc34)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.38
TGFBR2 P37173 2/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
PDK1 Q15118 3/20 0.34
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
DYRK1A Q13627 3/20 0.33
ALDH1A1 P00352 1/20 0.33
WNT1 P04628 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
FES P07332 1/20 0.33
RET P07949 1/20 0.33
ROS1 P08922 1/20 0.33
FER P16591 1/20 0.33
FLT1 P17948 1/20 0.33

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
SCHEMBL4165700 0.91 TGFBR1 (0.39) TGFBR1TGFBR2CYP3A4CYP2C8PDK1
SCHEMBL3728613 0.85 PPARA (0.36) TGFBR1TGFBR2CYP3A4CYP2C8PPARG
SCHEMBL4158616 0.85 TGFBR1 (0.42) TGFBR1TGFBR2CYP3A4CYP2C8DYRK1A
SCHEMBL4150696 0.84 TGFBR1 (0.38) TGFBR1TGFBR2CYP3A4CYP2C8PDK1
SCHEMBL4150455 0.84 TGFBR1 (0.40) TGFBR1TGFBR2CYP3A4CYP2C8JAK2
SCHEMBL3672347 0.83 CDK8 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8CDK8
SCHEMBL3722712 0.82 TGFBR1 (0.39) TGFBR1TGFBR2CYP3A4CYP2C8PDK1
SCHEMBL27808352 0.82 TGFBR1 (0.39) TGFBR1TGFBR2CYP3A4CYP2C8PDK1
SCHEMBL3727379 0.81 CDK8 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8CDK8
SCHEMBL4161242 0.81 NOS3 (0.46) TGFBR1TGFBR2CYP3A4CYP2C8CDK8

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 128/4885TGFBR2 443/4885CYP3A4 111/4885

“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.