SCHEMBL4068085

SCHEMBL4068085

NC(=O)C1Cc2ccccc2N(CC(=O)Nc2nncs2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPY1R P25929 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ESR2 Q92731 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAPK10 P53779 2/20 0.38
LMNA P02545 2/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL4068094 0.88 POLB (0.44) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4069562 0.76 CHRM2 (0.48) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4065818 0.76 KDM4E (0.53) POLBKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4067884 0.76 PYGL (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4073186 0.72 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4066125 0.72 LMNA (0.42) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4068434 0.72 TSHR (0.44) POLBALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL5645660 0.72 PYGL (0.71)
SCHEMBL4064769 0.72 PYGL (0.49) KDM4EALDH1A1KMT2AHPGD
SCHEMBL4064789 0.72 POLB (0.47) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 POLB 573/4885KDM4E 3425/4885CYP1A2 1042/4885

“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.