SCHEMBL4158310

SCHEMBL4158310

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
JAK1 P23458 9/20 0.39
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
CHEK1 O14757 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.36
TGFBR2 P37173 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 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
SCHEMBL4158503 0.92 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL3796138 0.91 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4158299 0.91 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL4158052 0.90 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL4153816 0.88 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL3664985 0.87 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL27808292 0.86 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4158344 0.86 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4155868 0.85 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3661771 0.84 TGFBR1 (0.42) 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 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 128/4885CYP3A4 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.