SCHEMBL4167973

SCHEMBL4167973

COC(=O)CNCc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.38
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HDAC1 Q13547 2/20 0.35
KDM1A O60341 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
VEGFA P15692 1/20 0.34
FLT1 P17948 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4152914 0.85 PRMT6 (0.43) PPIDCYP11B1CYP11B2EGLN1VEGFA
SCHEMBL3668234 0.85 FFAR1 (0.37) CA1CA2HDAC1ALDH1A1
SCHEMBL13778410 0.78 HDAC1 (0.46) PPIDHDAC1KDM1ACYP11B1CYP11B2
SCHEMBL3662196 0.78 S1PR1 (0.44) HDAC1ALDH1A1SMN1; SMN2
SCHEMBL4165962 0.78 ALDH1A1 (0.33) HPGDCYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL3663742 0.77 ADRB2 (0.42) KDM4E
SCHEMBL3721196 0.77 HDAC1 (0.45) PPIDHDAC1KDM1ACYP11B1CYP11B2
SCHEMBL3666063 0.77 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1997225 0.76 ALDH1A1 (0.51) LMNAHDAC1ALDH1A1KDM4EMEN1
SCHEMBL3667596 0.75 MEN1 (0.43) LMNAHDAC1ALDH1A1KDM4EMEN1

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 4 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

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 PPID 3596/4885HPGD 3872/4885LMNA 2708/4885

“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.