SCHEMBL5000640

SCHEMBL5000640

CC(=O)c1ccccc1-c1cncc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.51
BRAF P15056 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 6/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MDM2 Q00987 1/20 0.45
HTT P42858 3/20 0.44
ATM Q13315 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5000697 0.86 ALDH1A1 (0.46) KMT2AMEN1MAPK1LMNATSHR
SCHEMBL4997430 0.83 RAF1 (0.51) RAF1BRAFKMT2AMEN1LMNA
SCHEMBL4993013 0.82 RAF1 (0.49) RAF1BRAFKMT2AMEN1LMNA
SCHEMBL4997015 0.81 NPY2R (0.42) RAF1BRAFLMNATSHRMAPT
SCHEMBL4992025 0.80 NPC1 (0.47) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL5000894 0.78 HTR7 (0.44) RAF1BRAFMAPK1LMNATSHR
SCHEMBL4997745 0.77 PHGDH (0.50) KMT2AMEN1LMNATSHRMAPT
SCHEMBL4995326 0.77 MAPT (0.58) RAF1BRAFKMT2AMEN1MAPK1
SCHEMBL4994876 0.76 MAPT (0.46) KMT2AMEN1LMNATSHRMAPT
SCHEMBL4994089 0.76 NPSR1 (0.47) LMNATSHRMAPTPOLBALDH1A1

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 RAF1 1087/4885BRAF 478/4885KMT2A 4601/4885

“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.