SCHEMBL8510032

SCHEMBL8510032

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3CC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
KDM4E B2RXH2 4/20 0.32
MAPK1 P28482 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31
USP19 O94966 1/20 0.31
WEE1 P30291 1/20 0.31
STAT3 P40763 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL214613 0.87 MEN1 (0.42) MEN1KMT2AF7F3KDM4E
SCHEMBL212647 0.85 KMT2A (0.41) MEN1KMT2AF7F3KDM4E
SCHEMBL215334 0.84 MEN1 (0.42) MEN1KMT2AKDM4EPDE4APDE4B
SCHEMBL8512253 0.83 MEN1 (0.39) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL216699 0.83 MEN1 (0.39) MEN1KMT2AKDM4EMAPK1WEE1
SCHEMBL216936 0.82 MEN1 (0.39) MEN1KMT2AKDM4EMAPK1PDE4A
SCHEMBL188721 0.81 MEN1 (0.44) MEN1KMT2AF7F3KDM4E
SCHEMBL214993 0.81 MEN1 (0.42) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL216800 0.79 MEN1 (0.36) MEN1KMT2AKDM4EMAPK1
SCHEMBL188388 0.78 MEN1 (0.41) MEN1KMT2AKDM4EMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MEN1 3601/4885KMT2A 3701/4885F7 3902/4885

“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.