SCHEMBL8044260

SCHEMBL8044260

N#Cc1cnn(-c2cc(F)ccc2Br)c1N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
XDH P47989 2/20 0.43
ABL1 P00519 1/20 0.40
KDR P35968 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPK14 Q16539 2/20 0.35
NR3C1 P04150 1/20 0.34
HPGD P15428 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8049394 0.89 KMT2A (0.61) KMT2AKDM4EMEN1XDHABL1
SCHEMBL8049398 0.83 KMT2A (0.59) KMT2AKDM4EMEN1XDHABL1
SCHEMBL8052663 0.83 KMT2A (0.47) KMT2AKDM4EMEN1XDHABL1
SCHEMBL838963 0.83 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL8047302 0.83 KMT2A (0.61) KMT2AKDM4EMEN1XDHABL1
SCHEMBL3985313 0.83 KMT2A (0.64) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL27819905 0.81 KMT2A (0.58) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL8047268 0.81 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL840418 0.81 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL839068 0.80 KMT2A (0.51) KMT2AKDM4EMEN1XDHABL1

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.