SCHEMBL4064714

SCHEMBL4064714

Cc1ccc2c(c1)CC(N)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.48
HTR5A P47898 2/20 0.44
EPHX2 P34913 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
ACHE P22303 1/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
ROS1 P08922 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36

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
SCHEMBL17321238 0.84 HTR5A (0.42) AADATHTR5AEPHX2PKMCYP3A4
SCHEMBL17321239 0.84 HTR5A (0.42) AADATHTR5AEPHX2PKMCYP3A4
SCHEMBL18743294 0.81 ACHE (0.49) AADATHTR5AEPHX2PDE3BPDE3A
SCHEMBL434007 0.81 ACHE (0.49) AADATHTR5AEPHX2PDE3BPDE3A
SCHEMBL31552579 0.80 HTR5A (0.45) HTR5AACHECYP1A2CYP2C19CA12
SCHEMBL5131215 0.80 BRD4 (0.47) BRD4POLBPARP10PARP11CA12
SCHEMBL13878894 0.80 HTR5A (0.45) HTR5AACHECYP1A2CYP2C19CA12
SCHEMBL4898004 0.80 PDE3B (0.54) AADATHTR5APDE3BPDE3AACHE
Hydrochloric Acid SCHEMBL25330756 0.79 BRD4 (0.46) BRD4POLBPARP10PARP11CA12
Hydrochloric Acid SCHEMBL4072833 0.79 HTR5A (0.44) HTR5AACHECYP1A2CYP2C19CA12

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
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

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 3997/4885EPHX2 1684/4885

“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.