SCHEMBL840418

SCHEMBL840418

N#Cc1cnn(-c2ccc(F)cc2Cl)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 1/20 0.61
XDH P47989 2/20 0.43
CSNK2A1 P68400 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
BTK Q06187 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
AR P10275 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPK14 Q16539 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NR3C2 P08235 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL8047302 0.89 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL3985313 0.86 KMT2A (0.64) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL10608500 0.86 KMT2A (0.49) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL10618401 0.83 KMT2A (0.59) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL8049394 0.83 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL8047268 0.83 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL9526287 0.83 KMT2A (0.47) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL10987923 0.81 KMT2A (0.49) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL838963 0.81 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1
SCHEMBL8044260 0.81 KMT2A (0.61) KMT2AKDM4EMEN1XDHCSNK2A1

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 15 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
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN 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
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.