SCHEMBL4516934

SCHEMBL4516934

[NH]C(=O)C1(N)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.36
GRM2 Q14416 2/20 0.30
GRM3 Q14832 2/20 0.30
GRM4 Q14833 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
LMNA P02545 1/20 0.30
GRM5 P41594 1/20 0.30
MTOR P42345 1/20 0.30
GRM1 Q13255 1/20 0.30
PLCB1 Q9NQ66 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3715959 0.81
SCHEMBL879719 0.77 KDM4E (0.50) DPP9DPP7KDM4EKMT2ADPP4
SCHEMBL28600615 0.77 GRM4 (0.45) DPP9DPP7KDM4EKMT2ADPP4
SCHEMBL180209 0.77 GRM4 (0.45) DPP9DPP7KDM4EKMT2ADPP4
SCHEMBL3714824 0.76
SCHEMBL8007987 0.76
Bromide SCHEMBL9657131 0.75 GRM4 (0.43) DPP9DPP7KDM4EKMT2ADPP4
SCHEMBL13954137 0.75 KDM4E (0.43) DPP9DPP7KDM4EKMT2ADPP4
Hydrochloric Acid SCHEMBL19641148 0.75 KDM4E (0.48) DPP9DPP7KDM4EKMT2ADPP4
Hydrochloric Acid SCHEMBL2991552 0.75 GRM4 (0.43) DPP9DPP7KDM4EKMT2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 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-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD DPP9 3224/4885DPP7 3571/4885KDM4E 946/4885

“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.