SCHEMBL16044591

SCHEMBL16044591

O=c1[nH]ncc2sc(-c3ccncc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.48
CDC7 O00311 5/20 0.46
DBF4 Q9UBU7 5/20 0.46
CDK2 P24941 10/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
ROCK1 Q13464 2/20 0.39
CCNE1 P24864 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL14911794 0.77 GSK3B (0.56) GSK3BCDC7DBF4CDK2ALDH1A1
SCHEMBL25236233 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL29176245 0.70 MAPT (0.48) GSK3BCDC7DBF4CDK2PDE3B
SCHEMBL23263983 0.70 GSK3B (0.43) GSK3BCDC7DBF4CDK2PDE3B
SCHEMBL14911423 0.68 KDM4E (0.42) GSK3BCDK2PDE3BPDE3AKDM4E
SCHEMBL26325418 0.67 MAPT (0.50) GSK3BCDC7DBF4CDK2PDE3B
SCHEMBL31227630 0.65 CYP2A6 (0.51) CDC7DBF4
SCHEMBL31227321 0.65 CYP2A6 (0.51) GSK3BCDC7DBF4CDK2ROCK1
SCHEMBL11973132 0.65 CA2 (0.46) GSK3BCDC7DBF4ROCK1KDM4E
SCHEMBL3977831 0.65 GSK3B (0.52) GSK3BCDC7DBF4CDK2ROCK1

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
EP-2970328-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
US-9200005-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2015-12-01 US disclosed
WO-2014140086-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 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-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A PDE5A, PDE3A, PDE3B GSK3B 125/4885CDC7 2298/4885DBF4 3933/4885

“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.