SCHEMBL2437873

SCHEMBL2437873

Cc1ccc2nc(C)c(-c3cc(N)[nH]n3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 6/20 0.43
NQO2 P16083 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
NCK1 P16333 1/20 0.36
BACE1 P56817 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.33
NPC1 O15118 1/20 0.33
PSMB5 P28074 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
SCHEMBL2439563 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPTNQO2
SCHEMBL2439505 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1MAPTNQO2
SCHEMBL2444632 0.86 ILK (0.45) KDM4EMAPTSMN1; SMN2RAB9ABACE1
SCHEMBL2434519 0.84 KDM4E (0.40) ALDH1A1KDM4EMAPTNQO2SMN1; SMN2
SCHEMBL2445966 0.82 ILK (0.48) KDM4EBACE1
SCHEMBL2436848 0.77 KDM4E (0.33) KDM4EGAANPC1HSD17B10
SCHEMBL2442378 0.76 ILK (0.32)
SCHEMBL2439678 0.74 MAPT (0.40) ALDH1A1MAPTRAB9AADORA2A
SCHEMBL2439517 0.74 MAPT (0.40) ALDH1A1MAPTNQO2RAB9AADORA2A
SCHEMBL434975 0.71 NQO2 (0.70) ALDH1A1KDM4EL3MBTL1MAPTNQO2

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 ALDH1A1 619/4885KDM4E 408/4885L3MBTL1 4568/4885

“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.