SCHEMBL4153898

SCHEMBL4153898

Cc1cccc(-c2cc(-c3cncc(O)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C8 P10632 1/20 0.53
TGFBR2 P37173 2/20 0.41
MAPK14 Q16539 1/20 0.39
CYP2A6 P11509 1/20 0.38
NUDT1 P36639 1/20 0.38
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
CYP17A1 P05093 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
HPGDS O60760 1/20 0.36
METAP2 P50579 1/20 0.35
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
PIKFYVE Q9Y2I7 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
SCHEMBL4151363 0.86 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4168756 0.86 TGFBR1 (0.58) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4157242 0.85 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8TGFBR2MAPK14
SCHEMBL3794751 0.85 TGFBR1 (0.52) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL3802774 0.84 CYP3A4 (0.51) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL3664985 0.83 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2MAPK14
SCHEMBL4155004 0.82 CDK8 (0.49) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL3668426 0.82 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2MAPK14
SCHEMBL4161810 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL3803436 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6

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 7 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
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
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.