SCHEMBL23940247

SCHEMBL23940247

CN(C)C(=O)c1nn(C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
HTR3A P46098 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SLC22A2 O15244 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
RBP4 P02753 1/20 0.43

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
SCHEMBL27249756 0.84 KDM4E (0.52) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27249841 0.82 KDM4E (0.50) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27249462 0.82 PARP1 (0.50) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7297926 0.81 KDM4E (0.62) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL30467838 0.81 KDM4E (0.62) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL30251861 0.81 KDM4E (0.62) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL496589 0.81 KDM4E (0.62) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27249849 0.80 KDM4E (0.48) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27249845 0.80 KDM4E (0.48) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL23940248 0.80 EGFR (0.41) KDM4EEGFRSRCMEN1KMT2A

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 6 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
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
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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 (3 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 KDM4E 2484/4885ALDH1A1 2637/4885CYP3A4 650/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS KDM4E 2695/4885ALDH1A1 1786/4885CYP3A4 2214/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD KDM4E 2840/4885ALDH1A1 1619/4885CYP3A4 2914/4885

“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.