SCHEMBL17088192

SCHEMBL17088192

CCOc1ccc(-c2nn([11CH3])cc2-c2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.63
CSNK1D P48730 1/20 0.63
CSNK1E P49674 1/20 0.63
MAPK12 P53778 1/20 0.63
MAPK11 Q15759 1/20 0.63
MAPK14 Q16539 1/20 0.63
PDE10A Q9Y233 12/20 0.63
LGALS3 P17931 1/20 0.61
PDE4D Q08499 1/20 0.61
PDE4A P27815 5/20 0.58
PDE4B Q07343 5/20 0.58
PDE3B Q13370 4/20 0.58
PDE3A Q14432 3/20 0.58
BRAF P15056 3/20 0.58

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
SCHEMBL17088189 1.00 MAPK13 (0.63) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL17088199 0.84 MEN1 (0.66) CSNK1DCSNK1EPDE10ABRAF
SCHEMBL3276042 0.83 PDE10A (0.69) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088195 0.83 SLC6A3 (0.69) PDE10A
SCHEMBL17088197 0.83 SLC6A3 (0.69) PDE10A
SCHEMBL5258392 0.79 MAPK13 (0.74) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL3270632 0.79 PDE10A (0.76) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL3270981 0.78 CSNK1D (0.68) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL28616735 0.78 TUBB4A (0.53) MAPK14PDE10APDE4APDE4BPDE3B
SCHEMBL5450262 0.78 MAPK13 (0.72) MAPK13CSNK1DCSNK1EMAPK12MAPK11

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 MAPK13 2582/4885CSNK1D 1230/4885CSNK1E 955/4885

“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.