SCHEMBL4486114

SCHEMBL4486114

NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
LMNA P02545 4/20 0.60
USP2 O75604 1/20 0.60
ANXA2 P07355 3/20 0.56
S100A10 P60903 3/20 0.56
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 2/20 0.55
CYP3A4 P08684 2/20 0.55
HIF1A Q16665 2/20 0.55
GAA P10253 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
GMNN O75496 1/20 0.55
ABCB11 O95342 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
HTR1A P08908 1/20 0.55

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
SCHEMBL4486120 1.00 MEN1 (0.60) MEN1KMT2ALMNAUSP2ANXA2
SCHEMBL11321330 0.85 LMNA (0.68) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL2579539 0.83 LMNA (0.72) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL5487379 0.81 LMNA (0.72) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL5487375 0.81 LMNA (0.72) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL11389782 0.79 MCHR1 (0.61) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL11389788 0.79 MCHR1 (0.61) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL7261524 0.79 LMNA (0.62) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL28015193 0.79 LMNA (0.62) MEN1KMT2ALMNAUSP2ALDH1A1
SCHEMBL2113914 0.79 MEN1 (0.71) MEN1KMT2ALMNAUSP2ALDH1A1

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-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 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 (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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 MEN1 4340/4885KMT2A 2079/4885LMNA 3137/4885

“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.