SCHEMBL4163575

SCHEMBL4163575

Cc1cccc(-c2nc(-c3cncc(-c4cccc(N5CCCC5)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.42
TGFBR2 P37173 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
MERTK Q12866 2/20 0.35
AXL P30530 1/20 0.35
KARS1 Q15046 1/20 0.35
RPS6KB1 P23443 1/20 0.34
TTK P33981 2/20 0.33
PTK2 Q05397 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
CAMK2D Q13557 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 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
SCHEMBL4159474 0.92 TGFBR1 (0.43) TGFBR1TGFBR2IRAK4CYP3A4CYP2C8
SCHEMBL4150736 0.91 TGFBR1 (0.42) TGFBR1TGFBR2IRAK4CYP3A4CYP2C8
SCHEMBL3665689 0.85 TTK (0.44) TGFBR1TGFBR2IRAK4CYP3A4CYP2C8
SCHEMBL4161342 0.85 TTK (0.46) TGFBR1TGFBR2RPS6KB1TTKPTK2
SCHEMBL3729500 0.84 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8AXL
SCHEMBL3727531 0.84 LRRK2 (0.47) TGFBR1TGFBR2IRAK4CYP3A4CYP2C8
SCHEMBL4167173 0.84 TGFBR1 (0.42) TGFBR1TGFBR2IRAK4CYP3A4CYP2C8
SCHEMBL3731753 0.83 TGFBR1 (0.46) TGFBR1TGFBR2IRAK4CYP3A4CYP2C8
SCHEMBL4165337 0.83 TGFBR1 (0.52) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4153850 0.82 TGFBR1 (0.40) TGFBR1TGFBR2CYP3A4CYP2C8TTK

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 6 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
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
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 443/4885IRAK4 31/4885

“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.