SCHEMBL838772

SCHEMBL838772

Cc1c(F)cccc1-n1ncc(C#N)c1N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
SCN9A Q15858 4/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
XDH P47989 2/20 0.43
MAPT P10636 1/20 0.42
GLA P06280 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK14 Q16539 1/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL8041487 0.86 KMT2A (0.56) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL1456326 0.86 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL1456670 0.85 KMT2A (0.59) KMT2AKDM4EMEN1SCN9AALDH1A1
SCHEMBL839977 0.83 KMT2A (0.56) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL838616 0.83 KMT2A (0.56) KMT2AKDM4EMEN1SCN9AALDH1A1
SCHEMBL8030054 0.83 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL27819907 0.81 KMT2A (0.51) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL1881459 0.81 KMT2A (0.60) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL1457376 0.80 KMT2A (0.57) KMT2AKDM4EMEN1SCN9AALDH1A1
SCHEMBL13430474 0.79 XDH (0.54) KMT2AKDM4EMEN1SCN9AALDH1A1

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 12 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-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP 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
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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 (2 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
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 KMT2A 4136/4885KDM4E 3541/4885MEN1 2410/4885

“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.