SCHEMBL6898005

SCHEMBL6898005

Cc1nc(C)c(-c2cc3nc(Cl)cc(Cl)n3n2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.40
RAB9A P51151 8/20 0.40
PDE10A Q9Y233 2/20 0.40
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 4/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 2/20 0.33
CYP3A4 P08684 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
SCHEMBL2439159 0.85 NPC1 (0.37) NPC1RAB9APDE10AALDH1A1KDM4E
SCHEMBL2437251 0.84 PDE10A (0.41) NPC1RAB9APDE10AALDH1A1KDM4E
SCHEMBL2436567 0.84 PDE10A (0.48) NPC1RAB9APDE10A
SCHEMBL2438289 0.83 PDE10A (0.38) NPC1RAB9APDE10AALDH1A1KDM4E
SCHEMBL2438827 0.83 PDE10A (0.48) NPC1RAB9APDE10AALDH1A1KMT2A
SCHEMBL2441009 0.82 NPC1 (0.40) NPC1RAB9APDE10AALDH1A1KDM4E
SCHEMBL2443008 0.81 KDM4E (0.38) NPC1RAB9APDE10AALDH1A1KDM4E
SCHEMBL2439004 0.81 KDM4E (0.38) NPC1RAB9APDE10AALDH1A1KDM4E
SCHEMBL2438425 0.79 PDE10A (0.45) NPC1RAB9APDE10AALDH1A1KDM4E
SCHEMBL2409936 0.79 DPP4 (0.36) NPC1RAB9APDE10AALDH1A1KDM4E

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
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US 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 745/4885PDE10A 5/4885

“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.