SCHEMBL5455582

SCHEMBL5455582

Cc1ccc(C(=O)Nc2ccc3c(C(=O)Nc4ccncc4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NT5E P21589 2/20 0.43
NAMPT P43490 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAP3K5 Q99683 1/20 0.40
FLT3 P36888 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL4396396 0.87 ALDH1A1 (0.45) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL4400720 0.87 NAMPT (0.48) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL4402104 0.85 RAB9A (0.45) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4905992 0.85 NPC1 (0.49) POLBKMT2AMEN1LMNAKDM4E
SCHEMBL4391709 0.84 RAB9A (0.41) POLBKMT2AKDM4ENPC1RAB9A
SCHEMBL3833164 0.84 RAB9A (0.42) POLBKMT2AMEN1KDM4ENPC1
SCHEMBL4391744 0.84 RAB9A (0.42) POLBKMT2ALMNAKDM4EL3MBTL1
SCHEMBL3833978 0.82 RAB9A (0.43) POLBKDM4ENPC1RAB9AMAP3K5
SCHEMBL3833014 0.82 RAB9A (0.41) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL4396816 0.82 RAB9A (0.41) POLBKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 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-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP POLB 135/4885KMT2A 4307/4885MEN1 4297/4885

“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.