SCHEMBL2797975

SCHEMBL2797975

CC([CH]C#N)(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 2/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
MIF P14174 1/20 0.35
LMNA P02545 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL2799510 0.71 KMT2A (0.63) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL6017448 0.71 KMT2A (0.40) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL10887061 0.70 KMT2A (0.50) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL363513 0.70 KMT2A (0.56) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL20557136 0.68 MEN1 (0.48) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL20557138 0.68 MEN1 (0.48) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL27561961 0.66 KMT2A (0.45) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL20556899 0.66 MEN1 (0.45) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL20556898 0.66 MEN1 (0.45) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL8720078 0.65 MEN1 (0.54) KMT2AMEN1POLBGRIN2DGRIN3B

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-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KMT2A 2166/4885MEN1 2997/4885POLB 1613/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KMT2A 2166/4885MEN1 2997/4885POLB 1613/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KMT2A 2166/4885MEN1 2997/4885POLB 1613/4885

“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.