SCHEMBL4153816

SCHEMBL4153816

COC(=O)CN(C)Cc1ccc(-c2cncc(-c3cc(-c4cccc(C)n4)nc4[nH]ccc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
JAK1 P23458 8/20 0.36
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
HPGDS O60760 3/20 0.34
TGFBR2 P37173 2/20 0.33
PAK1 Q13153 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL4156341 0.93 CYP3A4 (0.39) TGFBR1CYP3A4CYP2C8JAK1HPGDS
SCHEMBL4155882 0.92 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4158310 0.88 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL27808359 0.88 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4162033 0.86 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL3796138 0.86 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4155020 0.86 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4158052 0.85 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4150529 0.84 CYP3A4 (0.40) TGFBR1CYP3A4CYP2C8JAK1HPGDS
SCHEMBL4158299 0.83 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A

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 TGFBR1 128/4885CYP3A4 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.