SCHEMBL4996191

SCHEMBL4996191

FC(F)(F)c1ccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)cc1

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
DHFR P00374 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AKR1C3 P42330 1/20 0.38
CYP3A4 P08684 2/20 0.38
AOC3 Q16853 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2D6 P10635 1/20 0.37
MLYCD O95822 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL5003003 0.87 MEN1 (0.46) DHFRMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL5003393 0.87 KDM4E (0.53) DHFRMAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4997457 0.84 KDM4E (0.46) DHFRMAPTALDH1A1CYP1A2ALOX15
SCHEMBL4996840 0.84 ALDH1A1 (0.46) PIM2MAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4995101 0.82 PIM1 (0.50) PIM1PIM3PIM2DHFRMAPT
SCHEMBL4995148 0.82 PIM1 (0.50) PIM1PIM3PIM2DHFRMAPT
SCHEMBL4993709 0.81 PIM1 (0.49) PIM1PIM3PIM2DHFRMAPT
SCHEMBL5000680 0.81 PIM1 (0.51) PIM1PIM3PIM2DHFRMAPT
SCHEMBL4991986 0.80 CHEK1 (0.48) PIM2MAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4997547 0.78 MAPT (0.48) PIM1PIM3PIM2MAPTSMN1; 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.