SCHEMBL4991986

SCHEMBL4991986

CC(=O)c1ccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 1/20 0.40
PIM2 Q9P1W9 2/20 0.39
JAK2 O60674 1/20 0.39
FLT3 P36888 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL4993330 0.83 CHEK1 (0.57) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5003003 0.82 MEN1 (0.46) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4997457 0.82 KDM4E (0.46) CHEK1NPC1RAB9AMAPTALDH1A1
SCHEMBL4996840 0.82 ALDH1A1 (0.46) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4994249 0.82 CHEK1 (0.56) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5003418 0.81 CHEK1 (0.55) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5000654 0.80 CHEK1 (0.54) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4997072 0.80 CHEK1 (0.54) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4996191 0.80 PIM1 (0.45) MAPTSMN1; SMN2ALDH1A1CYP1A2ALOX15
SCHEMBL5003195 0.79 PIM2 (0.50) CHEK1NPC1RAB9AMAPTSMN1; 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 CHEK1 1668/4885NPC1 2008/4885RAB9A 2969/4885

“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.