SCHEMBL2444971

SCHEMBL2444971

Cc1nc(C)c(-c2cc(N)[nH]n2)nc1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2436848 0.80 KDM4E (0.33) KDM4EHSD17B10GAA
SCHEMBL2443211 0.78 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL2434519 0.71 KDM4E (0.40) KDM4EHPGDGAASMN1; SMN2
SCHEMBL2439505 0.70 ALDH1A1 (0.40) KDM4EUSP2HPGDHSD17B10GAA
SCHEMBL2437599 0.69 NPC1 (0.37) NOS3NOS1NOS2KDM4E
SCHEMBL27877273 0.69 PDE10A (0.37) PDE10AKDM4EUSP2HPGDHSD17B10
SCHEMBL2436804 0.68 JAK3 (0.31)
SCHEMBL2437873 0.67 ALDH1A1 (0.44) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL2439563 0.67 ALDH1A1 (0.44) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL30665034 0.66 KDM4E (0.42) NOS3NOS1NOS2KDM4EUSP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
CN-102770435-A Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2012-11-07 CN disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 WO 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A PDE10A 5/4885NOS3 150/4885NOS1 132/4885

“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.