SCHEMBL9988939

SCHEMBL9988939

Cc1cccc(-c2nc3ccccc3nc2C2CN(C(=O)O)C2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.62
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRM5 P41594 3/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
NR4A2 P43354 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL2590262 0.85 PDE10A (0.56) PDE10A
SCHEMBL9988403 0.81 PDE10A (0.65) PDE10A
SCHEMBL7699402 0.77 PDE10A (0.60) PDE10ATP53RXFP1
SCHEMBL2590089 0.77 PDE10A (1.00) PDE10A
Hydrochloric Acid SCHEMBL2593706 0.76 PDE10A (0.59) PDE10ATP53RXFP1
SCHEMBL7695499 0.74 PDE10A (0.56) PDE10A
SCHEMBL9988129 0.74 PDE10A (0.68) PDE10A
SCHEMBL7700287 0.73 PDE10A (0.56) PDE10A
SCHEMBL7703650 0.73 PDE10A (0.58) PDE10A
SCHEMBL2590292 0.72 PDE10A (0.45) PDE10ATP53

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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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 (2 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885TP53 4835/4885RXFP1 1976/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885TP53 4835/4885RXFP1 1976/4885

“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.