SCHEMBL525672

SCHEMBL525672

[CH](c1cnc2ccccc2n1)c1cnc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 4/20 0.46
GPR3 P46089 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
PIM1 P11309 1/20 0.45
PAX8 Q06710 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL27321431 0.82 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL5845185 0.82 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL896448 0.82 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL3559408 0.82 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL97699 0.82 ALDH1A1 (0.47) PDE10ARAB9ANPC1KDM4EGPR3
Hydrochloric Acid SCHEMBL28114264 0.80 ALDH1A1 (0.46) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL27991306 0.80 ALDH1A1 (0.46) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL28747408 0.80 ALDH1A1 (0.46) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL6852382 0.79 RAB9A (0.50) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL12923109 0.79 PAX8 (0.63) PDE10ARAB9ANPC1KDM4EMAPT

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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GMBH (DE) 2011-05-19 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-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS ANPEP, DNPEP, RNPEP PDE10A 4657/4885RAB9A 2409/4885NPC1 4377/4885
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 PDE10A 1475/4885RAB9A 3465/4885NPC1 2884/4885

“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.