SCHEMBL5000820

SCHEMBL5000820

Cc1ccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
SMO Q99835 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL4993709 0.84 PIM1 (0.49) PIM1PIM3PIM2SMN1; SMN2MEN1
SCHEMBL4995171 0.82 MEN1 (0.42) PIM2LMNAHTTMEN1KMT2A
SCHEMBL4992325 0.82 MEN1 (0.43) PIM2LMNASMN1; SMN2HTTMEN1
SCHEMBL4997778 0.81 PIM1 (0.49) PIM1PIM3PIM2KDM4ECYP11B1
SCHEMBL4992899 0.81 CYP11B1 (0.45) PIM1PIM3PIM2LMNASMN1; SMN2
SCHEMBL4995444 0.79 SMN1; SMN2 (0.50) LMNASMN1; SMN2KDM4EHTTMEN1
SCHEMBL4996249 0.78 MAPT (0.50) PIM1PIM3PIM2LMNASMN1; SMN2
SCHEMBL4997745 0.78 PHGDH (0.50) LMNASMN1; SMN2KDM4EHTTMEN1
SCHEMBL5003435 0.77 TACR3 (0.55) PIM1PIM3PIM2LMNASMN1; SMN2
SCHEMBL5000680 0.76 PIM1 (0.51) PIM1PIM3PIM2LMNASMN1; SMN2

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C PIM1 1047/4885PIM3 1429/4885PIM2 1679/4885

“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.