SCHEMBL2436498

SCHEMBL2436498

Cc1nc2ccccc2nc1-c1cc2nc(O)cc(O)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 7/20 0.38
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
STAT3 P40763 1/20 0.37
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2437455 0.90 KDM4E (0.41) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL2440003 0.90 KDM4E (0.41) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL2441971 0.89 KDM4E (0.41) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL14119712 0.87 PDE10A (0.47) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL2437449 0.86 RAB9A (0.36) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL2439360 0.86 RAB9A (0.36) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL2437300 0.86 PDE10A (0.46) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL2438730 0.85 MAPT (0.38) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL14119697 0.84 KDM4E (0.48) PDE10AMAPTALDH1A1NPC1RAB9A
SCHEMBL2440500 0.84 MIF (0.47) PDE10AMAPTALDH1A1NPC1RAB9A

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 5 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
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 5/4885MAPT 4404/4885ALDH1A1 619/4885

“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.