SCHEMBL4167173

SCHEMBL4167173

Cc1cccc(-c2nc(-c3cncc(N4CCC(O)CC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
TGFBR2 P37173 2/20 0.42
VCP P55072 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
PIM1 P11309 8/20 0.37
MERTK Q12866 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 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
SCHEMBL4159474 0.90 TGFBR1 (0.43) TGFBR1TGFBR2CYP3A4CYP2C8PIM1
SCHEMBL3665689 0.89 TTK (0.44) TGFBR1TGFBR2VCPCYP3A4CYP2C8
SCHEMBL3727531 0.88 LRRK2 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8IRAK4
SCHEMBL4157887 0.86 TGFBR1 (0.41) TGFBR1TGFBR2VCPCYP3A4CYP2C8
SCHEMBL4163575 0.84 TGFBR1 (0.42) TGFBR1TGFBR2CYP3A4CYP2C8MERTK
SCHEMBL4150736 0.82 TGFBR1 (0.42) TGFBR1TGFBR2CYP3A4CYP2C8PIM1
SCHEMBL4161342 0.81 TTK (0.46) TGFBR1TGFBR2
SCHEMBL3668426 0.80 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8PIK3CA
SCHEMBL3723221 0.80 TGFBR1 (0.50) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4153850 0.79 TGFBR1 (0.40) TGFBR1TGFBR2CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
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 TGFBR1 128/4885TGFBR2 443/4885VCP 3179/4885

“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.