SCHEMBL4070159

SCHEMBL4070159

COC(=O)c1ccc(Cl)cc1NC(=O)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.54
RAB9A P51151 1/20 0.54
ABL1 P00519 1/20 0.54
GRIK1 P39086 1/20 0.48
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL1307490 0.84 KDM4E (0.63) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL5928755 0.83 ABL1 (0.58) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL3531700 0.82 ATR (0.53) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL26090331 0.82 KDM4E (0.71) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3792617 0.80 KMT2A (0.58) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL9987583 0.79 KDM4E (0.52) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL7470294 0.79 MEN1 (0.74) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL5875315 0.79 ABL1 (0.62) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL7467356 0.79 KMT2A (0.56) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL9227218 0.79 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922415-A Novel bicyclic compounds as dual ATX/CA inhibitors 豪夫迈·罗氏有限公司 2018-04-17 CN disclosed
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
EP-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed
EP-1819332-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP disclosed
WO-2006059164-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-08 WO 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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 KDM4E 3425/4885ALDH1A1 397/4885HPGD 120/4885

“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.