SCHEMBL4994089

SCHEMBL4994089

FC(F)(F)c1cccc(N2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
DHFR P00374 2/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PHGDH O43175 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTR2C P28335 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1D P28221 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MAPT P10636 3/20 0.44
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL4997588 0.89 PIM2 (0.52) DHFRPIM1PIM3PIM2ALDH1A1
SCHEMBL4997745 0.86 PHGDH (0.50) NPSR1DHFRKDM4EPOLBPHGDH
SCHEMBL4993263 0.85 MAPT (0.47) PIM1PIM2KDM4EALDH1A1SIGMAR1
SCHEMBL4995130 0.85 PHGDH (0.49) NPSR1DHFRKDM4EPOLBPHGDH
SCHEMBL4994876 0.85 MAPT (0.46) NPSR1DHFRPIM1PIM3PIM2
SCHEMBL5003298 0.84 MAPT (0.44) NPSR1DHFRPIM1PIM3PIM2
SCHEMBL5003412 0.83 MAPT (0.52) NPSR1KDM4EPOLBPHGDHALDH1A1
SCHEMBL4994785 0.83 SLC6A2 (0.47) DHFRPIM2ALDH1A1MAPTHTR7
SCHEMBL4997628 0.83 POLB (0.48) NPSR1DHFRPIM1PIM3PIM2
SCHEMBL4997452 0.83 MAPT (0.45) NPSR1DHFRPIM1PIM3PIM2

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 NPSR1 2808/4885DHFR 1604/4885PIM1 1047/4885

“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.