SCHEMBL17088238

SCHEMBL17088238

Cn1c(COc2ccc(-c3nn([11CH3])cc3-c3ccncc3)cc2)nc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 1.00
PDE4A P27815 11/20 0.66
PDE4B Q07343 11/20 0.66
PDE3B Q13370 10/20 0.65
PDE3A Q14432 7/20 0.65
LGALS3 P17931 1/20 0.63
PDE4D Q08499 1/20 0.63
KDM4E B2RXH2 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL17088233 1.00 PDE10A (1.00) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL30123130 0.86 PDE10A (0.76) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4724444 0.86 PDE10A (0.76) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL17088215 0.86 PDE10A (0.75) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL24951316 0.82 PDE10A (0.70) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL31133594 0.82 PDE10A (0.70) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3276042 0.81 PDE10A (0.69) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4154400 0.81 PDE10A (0.68) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL5532970 0.81 PDE10A (0.67) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3269654 0.80 PDE10A (0.81) PDE10APDE4APDE4BPDE3BPDE3A

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-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 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 (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-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A PDE10A 1/4885PDE4A 9/4885PDE4B 11/4885

“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.