SCHEMBL4157859

SCHEMBL4157859

Cc1cccc(-c2nc(-c3cncc(-c4ccc5c(c4)CCNC5)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.41
TGFBR2 P37173 2/20 0.41
ASIC3 Q9UHC3 5/20 0.39
CD274 Q9NZQ7 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
BTK Q06187 3/20 0.34
MAP4K1 Q92918 1/20 0.34
ACVR1 Q04771 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PIP4K2A P48426 1/20 0.32
PIP4K2B P78356 1/20 0.32
PIP4K2C Q8TBX8 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
SCHEMBL4149812 0.96 TGFBR1 (0.41) TGFBR1TGFBR2ASIC3CD274CYP3A4
SCHEMBL3732917 0.82 TGFBR1 (0.43) TGFBR1TGFBR2CYP3A4CYP2C8ACVR1
SCHEMBL3729500 0.81 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8PIP4K2A
SCHEMBL3724172 0.80 TGFBR1 (0.56) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4152923 0.80 TGFBR1 (0.53) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3731753 0.80 TGFBR1 (0.46) TGFBR1TGFBR2CYP3A4CYP2C8ACVR1
SCHEMBL4165337 0.79 TGFBR1 (0.52) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3723221 0.79 TGFBR1 (0.50) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4164082 0.79 TGFBR1 (0.45) TGFBR1TGFBR2CYP3A4CYP2C8IRAK4
SCHEMBL3671159 0.79 TGFBR1 (0.45) 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 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 443/4885ASIC3 1179/4885

“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.