SCHEMBL21296411

SCHEMBL21296411

O=[N+]([O-])c1cnn(C2CCN(C3CCC(F)(F)CC3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PARP1 P09874 9/20 0.34
PARP2 Q9UGN5 4/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2B6 P20813 1/20 0.33
CYP1A2 P05177 1/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL18283692 0.92 GSK3B (0.35) DRD4SIGMAR1GABRA1GABRB2
SCHEMBL16196214 0.88 MEN1 (0.42) MEN1KMT2ACYP2D6CYP1A2DRD4
SCHEMBL23612062 0.85 GSK3B (0.34) GABRA1GABRB2
SCHEMBL15244435 0.83 MEN1 (0.39) IRAK4MEN1KMT2ACYP2D6CYP1A2
SCHEMBL23038642 0.82 HRH3 (0.37) IRAK4MEN1KMT2ACYP2D6CYP1A2
SCHEMBL15244341 0.82 MEN1 (0.38) IRAK4MEN1KMT2ACYP2D6CYP1A2
SCHEMBL22518575 0.81 LRRK2 (0.39) MEN1KMT2ACYP2D6CYP1A2DRD4
SCHEMBL23612287 0.79 GSK3B (0.31) GABRA1GABRB2
SCHEMBL174612 0.79 F2 (0.41) MEN1KMT2ADRD4SIGMAR1
SCHEMBL23612179 0.78 F2 (0.36) MEN1KMT2AGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479555-B2 Substituted 1,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-ones as inhibitors of WEE-1 kinase NEWAVE PHARMACEUTICAL INC. (US) 2022-10-25 US disclosed
US-20210061807-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE NEWAVE PHARMACEUTICAL INC. 2021-03-04 US disclosed
WO-2019165204-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE NEWAVE PHARMACEUTICAL INC. (US) 2019-08-29 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-20210061807-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE WEE1, WEE2, PEAK1 HSP90AA1 1644/4885IRAK4 469/4885MEN1 853/4885
US-11479555-B2 Substituted 1,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-ones as inhibitors of WEE-1 kinase WEE1, WEE2, PHKG1 HSP90AA1 1671/4885IRAK4 430/4885MEN1 755/4885

“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.