SCHEMBL5002997

SCHEMBL5002997

COc1cccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
CACNA1G O43497 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PIM1 P11309 2/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MLYCD O95822 1/20 0.44
DRD2 P14416 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
SCHEMBL4997547 0.88 MAPT (0.48) MAPTNPC1ALDH1A1RAB9APIM1
SCHEMBL4993132 0.88 MAPT (0.55) MAPTNPC1ALDH1A1RAB9ACACNA1G
SCHEMBL5000653 0.87 NPC1 (0.56) MAPTNPC1ALDH1A1RAB9AKCNH2
SCHEMBL4992338 0.87 NPC1 (0.61) MAPTNPC1ALDH1A1RAB9AKCNH2
SCHEMBL4997603 0.85 NPC1 (0.59) MAPTNPC1ALDH1A1RAB9AKCNH2
SCHEMBL4993547 0.85 MET (0.48) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4995172 0.85 PIM1 (0.48) MAPTPIM1PIM3PIM2LMNA
SCHEMBL5000680 0.84 PIM1 (0.51) MAPTNPC1ALDH1A1RAB9ACYP1A2
SCHEMBL4996313 0.84 NPC1 (0.53) MAPTNPC1ALDH1A1RAB9AKCNH2
SCHEMBL4994876 0.84 MAPT (0.46) MAPTALDH1A1PIM1PIM3PIM2

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 MAPT 5/4885NPC1 2008/4885ALDH1A1 1034/4885

“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.