SCHEMBL8043436

SCHEMBL8043436

N#Cc1cnn(-c2ncc(F)cc2F)c1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
XDH P47989 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.36
ABL1 P00519 1/20 0.36
KDR P35968 1/20 0.36
GLA P06280 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PKM P14618 1/20 0.34
KHK P50053 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PLAUR Q03405 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
SCHEMBL10985964 0.81 KMT2A (0.62) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL3985313 0.77 KMT2A (0.64) KMT2AKDM4EMEN1ALDH1A1XDH
SCHEMBL838436 0.74 KMT2A (0.44) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL6475236 0.74 KDM4E (0.49) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL10847653 0.74 KMT2A (0.56) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL10913942 0.73 KMT2A (0.46) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL12062690 0.73 KMT2A (0.55) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL3871259 0.72 KMT2A (1.00) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL10616881 0.72 KMT2A (0.54) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL17176676 0.72 KMT2A (0.57) KMT2AKDM4EMEN1ALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO 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-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.