SCHEMBL2407443

SCHEMBL2407443

Cc1[c]nc2cc(F)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 3/20 0.43
BACE1 P56817 1/20 0.36
CASP3 P42574 1/20 0.35
GFER P55789 2/20 0.34
AXL P30530 1/20 0.34
MPO P05164 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
TYMS P04818 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK10 P53779 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL2413809 0.80 NQO2 (0.52) KDM4EBACE1MAPTMAPK1NPC1
SCHEMBL4754071 0.73 KDM4E (0.40) KDM4EKMT2ABACE1CASP3MPO
SCHEMBL4757272 0.73 KDM4E (0.40) KDM4EKMT2ABACE1CASP3GFER
SCHEMBL12638658 0.73 KDM4E (0.57) KDM4EKMT2ABACE1CASP3MPO
SCHEMBL410281 0.73 MAPT (0.46) KDM4EKMT2AMAPTNPC1CYP1A2
SCHEMBL2409333 0.73 NQO2 (0.44) KDM4EKMT2ABACE1MAPTNPC1
SCHEMBL2413517 0.72 NQO2 (0.52) KDM4EBACE1MAPTCYP1A2RAB9A
SCHEMBL5949423 0.69 AR (0.36) KDM4EKMT2ABACE1CASP3MPO
SCHEMBL18511338 0.68 KDM4E (0.52) KDM4EKMT2ABACE1CASP3GFER
SCHEMBL19104651 0.68 KDM4E (0.52) KDM4EKMT2ABACE1CASP3GFER

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 KDM4E 408/4885KMT2A 1357/4885BACE1 3778/4885

“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.