SCHEMBL4151076

SCHEMBL4151076

Cc1cccc(-c2nc(-c3cncc(NC(=O)CCCN(C)C)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.59
TGFBR1 P36897 4/20 0.44
TGFBR2 P37173 2/20 0.44
WNT1 P04628 4/20 0.41
CLK2 P49760 4/20 0.39
CLK3 P49761 4/20 0.39
DYRK1A Q13627 4/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
JAK2 O60674 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3800944 0.96 HPGDS (0.59) HPGDSTGFBR1TGFBR2WNT1CLK2
SCHEMBL3672577 0.90 TGFBR1 (0.46) HPGDSTGFBR1TGFBR2WNT1CLK2
SCHEMBL3724304 0.90 TGFBR1 (0.46) HPGDSTGFBR1TGFBR2WNT1CLK2
SCHEMBL3722355 0.89 TGFBR1 (0.46) HPGDSTGFBR1TGFBR2WNT1CLK2
SCHEMBL3665916 0.88 HPGDS (0.56) HPGDSTGFBR1TGFBR2WNT1CLK2
SCHEMBL4158356 0.87 TGFBR1 (0.47) HPGDSTGFBR1TGFBR2WNT1
SCHEMBL4154301 0.84 FYN (0.47) HPGDSTGFBR1TGFBR2MAPK8
SCHEMBL3719671 0.83 TGFBR1 (0.41) HPGDSTGFBR1TGFBR2MAPK14HDAC1
SCHEMBL4164001 0.82 HPGDS (0.66) HPGDSTGFBR1TGFBR2WNT1
SCHEMBL4161445 0.82 KDR (0.48) HPGDSTGFBR1TGFBR2WNT1DYRK1A

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 8 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
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 HPGDS 1987/4885TGFBR1 128/4885TGFBR2 443/4885

“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.