SCHEMBL2428451

SCHEMBL2428451

Cc1ccc(C=O)c(N2CCC(N(C)C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
MAP4K4 O95819 1/20 0.39
MCHR1 Q99705 3/20 0.37
MAPK8 P45983 2/20 0.36
BTK Q06187 2/20 0.36
MRGPRX2 Q96LB1 2/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTR6 P50406 4/20 0.36
HTR2B P41595 2/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
WDR5 P61964 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL2428447 1.00 PIM1 (0.45) PIM1PIM3PIM2MAP4K4MCHR1
SCHEMBL2420993 0.90 PIM1 (0.46) PIM1PIM3PIM2MAP4K4MCHR1
SCHEMBL2420991 0.90 PIM1 (0.46) PIM1PIM3PIM2MAP4K4MCHR1
SCHEMBL6406788 0.83 PIM1 (0.60) PIM1PIM3PIM2MAP4K4MCHR1
SCHEMBL2423124 0.83 PIM1 (0.60) PIM1PIM3PIM2MAP4K4MCHR1
SCHEMBL21859796 0.81 PIM1 (0.41) PIM1PIM3PIM2MAP4K4MCHR1
SCHEMBL19386343 0.81 PIM1 (0.45) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL20018697 0.79 MAPT (0.49) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL2425187 0.78 PIM1 (0.45) PIM1PIM3PIM2MAP4K4MCHR1
SCHEMBL2427274 0.78 PIM1 (0.45) PIM1PIM3PIM2MAP4K4MCHR1

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
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM3 2/4885PIM2 3/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM3 2/4885PIM2 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.