SCHEMBL4016071

SCHEMBL4016071

CC(C)(CCC#N)C(=O)C(C)(C)CCC#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NLRP3 Q96P20 1/20 0.32
MCL1 Q07820 1/20 0.31
TSHR P16473 1/20 0.31
DPP4 P27487 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
SCHEMBL9086970 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1NLRP3
SCHEMBL2226469 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL14795068 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1NLRP3
SCHEMBL9188074 0.79 MEN1 (0.46) MEN1KMT2AMCL1TSHRDPP4
SCHEMBL11869141 0.76 MEN1 (0.39) MEN1KMT2AMCL1
SCHEMBL10011134 0.74 MEN1 (0.50) MEN1KMT2A
SCHEMBL11561721 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1NLRP3
SCHEMBL28035557 0.71 MEN1 (0.42) MEN1KMT2AALDH1A1TDP1NLRP3
SCHEMBL10935407 0.71 MEN1 (0.35) MEN1KMT2A
SCHEMBL10011135 0.71 MEN1 (0.46) MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483247-B1 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2009-06-24 EP disclosed
US-7229993-B2 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-06-12 US disclosed
EP-1483247-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2004-12-08 EP disclosed
US-20030236273-A1 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. 2003-12-25 US disclosed
WO-2003076414-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO-CELTIQUE S.A. (US) 2003-09-18 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-20030236273-A1 Aryl substituted pyrimidines and the use thereof CACNA1S, CACNA1C, NCS1 MEN1 4871/4885KMT2A 3789/4885ALDH1A1 237/4885

“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.