SCHEMBL8041487

SCHEMBL8041487

N#Cc1cnn(-c2cccc(F)c2F)c1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
XDH P47989 2/20 0.45
BCAT1 P54687 1/20 0.40
MAPK14 Q16539 2/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
USP7 Q93009 1/20 0.37
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.34
PKM P14618 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
SCHEMBL1456670 0.88 KMT2A (0.59) KMT2AKDM4EMEN1XDHMAPK14
SCHEMBL838772 0.86 KMT2A (0.56) KMT2AKDM4EMEN1XDHMAPK14
SCHEMBL27819907 0.83 KMT2A (0.51) KMT2AKDM4EMEN1XDHMAPK14
SCHEMBL1881459 0.83 KMT2A (0.60) KMT2AKDM4EMEN1XDHBCAT1
SCHEMBL8030054 0.82 KMT2A (0.50) KMT2AKDM4EMEN1XDHMAPK14
SCHEMBL10995078 0.80 KMT2A (0.54) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL839916 0.77 KMT2A (0.54) KMT2AKDM4EMEN1XDHBCAT1
SCHEMBL838856 0.77 KMT2A (0.51) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL8554825 0.77 KMT2A (0.51) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL31341725 0.77 KMT2A (0.56) KMT2AKDM4EMEN1XDHMAPK14

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
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C KMT2A 1720/4885KDM4E 1108/4885MEN1 1111/4885

“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.