SCHEMBL4158356

SCHEMBL4158356

CC(=O)NCCC(=O)Nc1cncc(-c2nc(-c3cccc(C)n3)nc3[nH]ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.47
TGFBR2 P37173 6/20 0.47
HPGDS O60760 7/20 0.43
JAK3 P52333 2/20 0.37
MELK Q14680 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
WNT1 P04628 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL3722355 0.95 TGFBR1 (0.46) TGFBR1TGFBR2HPGDSJAK3MELK
SCHEMBL3724304 0.90 TGFBR1 (0.46) TGFBR1TGFBR2HPGDSJAK3CYP3A4
SCHEMBL3672577 0.90 TGFBR1 (0.46) TGFBR1TGFBR2HPGDSJAK3MELK
SCHEMBL3719671 0.89 TGFBR1 (0.41) TGFBR1TGFBR2HPGDSCYP3A4CYP2C8
SCHEMBL3665916 0.88 HPGDS (0.56) TGFBR1TGFBR2HPGDSJAK3CYP3A4
SCHEMBL3800944 0.87 HPGDS (0.59) TGFBR1TGFBR2HPGDSJAK3CYP3A4
SCHEMBL4151076 0.87 HPGDS (0.59) TGFBR1TGFBR2HPGDSWNT1
SCHEMBL3724252 0.80 TGFBR1 (0.45) TGFBR1TGFBR2HPGDSJAK3MELK
SCHEMBL3723829 0.79 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3730619 0.79 TGFBR1 (0.47) TGFBR1TGFBR2HPGDSJAK3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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 443/4885HPGDS 1987/4885

“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.