SCHEMBL8046923

SCHEMBL8046923

Cc1cccc(Cl)c1-n1ncc(C#N)c1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.44
XDH P47989 2/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
RXFP1 Q9HBX9 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 2/20 0.36
EPHB4 P54760 1/20 0.36
LCK P06239 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL1457396 0.90 KMT2A (0.62) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL838839 0.90 KMT2A (0.55) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL839916 0.83 KMT2A (0.54) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL13153173 0.83 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL839600 0.83 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL838616 0.81 KMT2A (0.56) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL10617384 0.81 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL10620958 0.78 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL838856 0.77 KMT2A (0.51) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL1456326 0.77 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1NPSR1

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.