SCHEMBL2437599

SCHEMBL2437599

Cc1nc2c(nc1-c1cc(N)[nH]n1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 2/20 0.34
SLC9A1 P19634 1/20 0.31
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 4/20 0.31
BCHE P06276 2/20 0.30

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
SCHEMBL2441286 0.82 PDE10A (0.36) ACHE
SCHEMBL2440862 0.82 PDE10A (0.40) ACHE
SCHEMBL2436848 0.80 KDM4E (0.33) NPC1KDM4E
SCHEMBL2434519 0.74 KDM4E (0.40) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL2436804 0.74 JAK3 (0.31)
SCHEMBL2439505 0.73 ALDH1A1 (0.40) NPC1KDM4EALDH1A1TP53MAPT
SCHEMBL2439563 0.70 ALDH1A1 (0.44) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL2437873 0.70 ALDH1A1 (0.44) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL2444971 0.69 PDE10A (0.35) NOS3NOS1NOS2KDM4E
SCHEMBL2444632 0.68 ILK (0.45) NPC1RAB9AKDM4ETP53MAPT

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 7 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
WO-2013027794-A1 NOVEL COMPOUND AND USE THEREOF AS PDE10 INHIBITOR 田辺三菱製薬株式会社 (JP) 2013-02-28 WO 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 NPC1 4264/4885RAB9A 745/4885NOS3 150/4885

“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.