SCHEMBL4067227

SCHEMBL4067227

NC1Cc2c(F)cccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.49
HTR5A P47898 1/20 0.44
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MAPK1 P28482 1/20 0.35
IDO1 P14902 1/20 0.35
SRD5A1 P18405 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
IKBKB O14920 1/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 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
SCHEMBL9024315 0.84 DRD2 (0.44) AADATHTR5ADRD2DRD3MAPK1
SCHEMBL27746212 0.81 PARP1 (0.37) AADATHTR5AIDO1DDB1CRBN
SCHEMBL29073375 0.80 CDK5 (0.38) AADATCDK5CDK5R1BRD4CREBBP
SCHEMBL13725343 0.80 AADAT (0.49) AADATHTR5ADDB1CRBNCDK5
SCHEMBL16792610 0.80 HTR5A (0.41) AADATHTR5ASRD5A1DDB1CRBN
Hydrochloric Acid SCHEMBL25331216 0.79 CDK5 (0.37) AADATCDK5CDK5R1BRD4CREBBP
Hydrochloric Acid SCHEMBL4894658 0.79 AADAT (0.48) AADATHTR5ADDB1CRBNCDK5
Hydrochloric Acid SCHEMBL30576552 0.79 CDK5 (0.37) AADATCDK5CDK5R1BRD4CREBBP
SCHEMBL4795933 0.76 AADAT (0.52) AADATDRD2DRD3BRD4CREBBP
Hydrochloric Acid SCHEMBL4801738 0.75 AADAT (0.51) AADATDRD2DRD3BRD4CREBBP

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
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
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 AADAT 426/4885HTR5A 3997/4885DRD2 3314/4885

“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.