SCHEMBL4602978

SCHEMBL4602978

[NH]C(=O)CNCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC8 Q9BY41 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RECQL P46063 1/20 0.49
DPP7 Q9UHL4 2/20 0.47
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
MAOA P21397 1/20 0.47
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TP53 P04637 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
SCHEMBL156664 0.83 MEN1 (0.56) MEN1KMT2ATDP1HDAC8ALDH1A1
SCHEMBL5181873 0.83 THRB (0.56) MEN1KMT2ATDP1HDAC8ALDH1A1
Hydrochloric Acid SCHEMBL1252387 0.81 MEN1 (0.54) MEN1KMT2ATDP1HDAC8ALDH1A1
Ammonia Solution, Strong SCHEMBL27486735 0.81 MEN1 (0.54) MEN1KMT2ATDP1HDAC8ALDH1A1
Bicarbonate SCHEMBL23420914 0.80 HDAC8 (0.64) MEN1KMT2ATDP1HDAC8HDAC6
Bicarbonate SCHEMBL11577277 0.80 HDAC8 (0.64) MEN1KMT2ATDP1HDAC8HDAC6
SCHEMBL87424 0.79 SPHK2 (0.65) MEN1KMT2ATDP1HDAC8ALDH1A1
SCHEMBL12809838 0.79 MEN1 (0.52) MEN1KMT2ATDP1HDAC8ALDH1A1
SCHEMBL4939366 0.79 MEN1 (0.52) MEN1KMT2ATDP1HDAC8ALDH1A1
SCHEMBL4589304 0.79 EPHX1 (0.61) MEN1KMT2ATP53GAAKDM4E

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
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-0154490-B1 PROCESS FOR THE PREPARATION OF PYRROLIDONE DERIVATIVES I.S.F. Socièta per Azioni (IT) 1988-08-10 EP 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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB MEN1 2387/4885KMT2A 2088/4885TDP1 665/4885

“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.