SCHEMBL27249751

SCHEMBL27249751

C[C@H]1CN(C(=O)c2cn(C)c3ccccc23)CCN1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.53
POLB P06746 2/20 0.51
REN P00797 1/20 0.51
HCRTR1 O43613 1/20 0.51
PARP1 P09874 2/20 0.49
PARP2 Q9UGN5 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
CNR1 P21554 1/20 0.48
TPSAB1 Q15661 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
NR4A2 P43354 1/20 0.47
HDAC1 Q13547 1/20 0.47
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL27249750 1.00 GFER (0.53) GFERPOLBRENHCRTR1PARP1
SCHEMBL27249727 0.85 HDAC6 (0.54) GFERPOLBHCRTR1TPSAB1HDAC6
SCHEMBL27249746 0.81 ALDH1A1 (0.53) GFERPOLBRENHCRTR1PARP1
SCHEMBL27249483 0.80 GFER (0.57) GFERPOLBHCRTR1TPSAB1HDAC6
SCHEMBL27249473 0.79 TPSAB1 (0.55) GFERPOLBHCRTR1CNR1TPSAB1
SCHEMBL27249736 0.79 TPSAB1 (0.55) GFERPOLBHCRTR1CNR1TPSAB1
SCHEMBL27249504 0.79 POLB (0.54) GFERPOLBHCRTR1TPSAB1HDAC6
SCHEMBL27249738 0.79 TPSAB1 (0.57) GFERPOLBHCRTR1TPSAB1HDAC6
SCHEMBL27249698 0.78 ALDH1A1 (0.66) GFERPOLBHCRTR1TPSAB1HDAC6
SCHEMBL29748812 0.78 HRH4 (0.58) POLBRENHCRTR1PARP1PARP2

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 4 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
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 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 (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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS GFER 3584/4885POLB 113/4885REN 99/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD GFER 3452/4885POLB 120/4885REN 195/4885

“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.