SCHEMBL4997579

SCHEMBL4997579

COc1cccc(-c2cncc(N3CCN(c4ccc(Cl)cc4)CC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
ALDH1A3 P47895 2/20 0.47
PIM2 Q9P1W9 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
SCHEMBL4996925 0.92 MAPT (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4992241 0.90 ALDH1A1 (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4991471 0.90 CYP1A2 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4997603 0.90 NPC1 (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4996238 0.89 NPC1 (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5000665 0.86 NPC1 (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4991361 0.85 MAPT (0.48) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL4992338 0.84 NPC1 (0.61) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5003429 0.81 KDM4E (0.51) MAPTNPC1RAB9AKDM4ENPSR1
SCHEMBL5000619 0.81 MAPT (0.60) MAPTALDH1A1NPC1RAB9ASMN1; 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 MAPT 5/4885ALDH1A1 1034/4885NPC1 2008/4885

“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.