SCHEMBL15745972

SCHEMBL15745972

NCCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.53
AKT2 P31751 12/20 0.53
AKT3 Q9Y243 12/20 0.53
AKT1S1 Q96B36 1/20 0.53
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL13229960 0.91 AKT1 (0.51) AKT1AKT2AKT3AKT1S1KMT2A
SCHEMBL2797356 0.83 MALT1 (0.44) AKT1AKT2AKT3AKT1S1KMT2A
Hydrochloric Acid SCHEMBL2797475 0.72 LMNA (0.65) AKT1AKT2AKT3AKT1S1MALT1
SCHEMBL2795640 0.72 LMNA (0.64) AKT1AKT2AKT3MALT1LMNA
SCHEMBL6605083 0.71 MEN1 (0.49) KMT2ALMNACYP2D6GAA
SCHEMBL2795162 0.69 AKT1 (1.00) AKT1AKT2AKT3AKT1S1
SCHEMBL15617934 0.69 AKT1 (1.00) AKT1AKT2AKT3AKT1S1
SCHEMBL6017353 0.69 AKT1 (0.73) AKT1AKT2AKT3AKT1S1
SCHEMBL15963333 0.69 CYP1A2 (0.59) AKT1AKT2AKT3AKT1S1MALT1
SCHEMBL2797182 0.69 AKT1 (0.68) AKT1AKT2AKT3AKT1S1

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 4 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-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-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 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-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885AKT3 3/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885AKT3 3/4885

“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.