SCHEMBL27249586

SCHEMBL27249586

Cn1cnc2c(C3(C#N)CC3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
AKT1 P31749 1/20 0.34
DPP4 P27487 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP17A1 P05093 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL27250036 0.77 SLC9A1 (0.38) KDM4ETSHRKMT2AHCRTR1HCRTR2
SCHEMBL27249625 0.73 DPP4 (0.42) DDB1CRBNKDM4EALDH1A1GLA
SCHEMBL27251284 0.73 BRD4 (0.33) CYP17A1
SCHEMBL27249628 0.72 ALDH1A1 (0.39) DDB1CRBNKDM4EALDH1A1GLA
SCHEMBL6427934 0.71 IMPDH2 (0.43) DDB1CRBNKDM4EALDH1A1GLA
SCHEMBL23973149 0.71 CCR4 (0.34) KMT2AHCRTR1HCRTR2
SCHEMBL27250118 0.68 CYP17A1 (0.41) DDB1CRBNKDM4EALDH1A1GLA
SCHEMBL2036174 0.68 IMPDH2 (0.51) ALDH1A1GAAKMT2A
SCHEMBL10526403 0.67 OPRM1 (0.39) ALDH1A1KMT2AOPRM1
SCHEMBL27251285 0.67 PARP1 (0.40) ALDH1A1KMT2AOPRM1

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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS DDB1 610/4885CRBN 3462/4885KDM4E 2695/4885

“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.