SCHEMBL23940252

SCHEMBL23940252

Cn1nc(C(=O)NCC(C)(C)O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
HTR3A P46098 3/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
SLC22A2 O15244 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL23940253 0.85 KDM4E (0.42) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL27249840 0.81 HTR3A (0.63) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL6588422 0.80 KDM4E (0.68) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL27249843 0.78 HDAC3 (0.64) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL27249830 0.78 KDM4E (0.63) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL1417391 0.78 KDM4E (0.70) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL27249815 0.77 ALDH1A1 (0.61) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL27249832 0.77 HDAC3 (0.62) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL2814896 0.77 HDAC3 (0.46) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL2815569 0.77 HDAC3 (0.46) KDM4EHTR3AHTR3EHTR3BHTR3D

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-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
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 (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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 KDM4E 2484/4885HTR3A 2012/4885HTR3E 2737/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS KDM4E 2695/4885HTR3A 4159/4885HTR3E 3981/4885

“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.