SCHEMBL3664985

SCHEMBL3664985

Cc1cccc(-c2cc(-c3cncc(-c4ccc(CO)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
CDK8 P49336 1/20 0.38
TGFBR2 P37173 2/20 0.37
JAK1 P23458 6/20 0.36
MAPK14 Q16539 1/20 0.35
EGFR P00533 1/20 0.35
CSF1R P07333 1/20 0.35
HPGDS O60760 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CYP2A6 P11509 1/20 0.34
NUDT1 P36639 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
SCHEMBL4155004 0.91 CDK8 (0.49) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4158344 0.91 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4157242 0.91 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8CDK8TGFBR2
SCHEMBL4150489 0.89 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4167174 0.89 CYP3A4 (0.43) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4158299 0.88 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4155020 0.88 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3799018 0.87 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4162033 0.87 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4155868 0.87 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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.