SCHEMBL4991995

SCHEMBL4991995

Clc1cccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
DHFR P00374 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
TP53 P04637 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4997457 0.86 KDM4E (0.46) GAAGFERDHFRALDH1A1MAPT
SCHEMBL4996840 0.86 ALDH1A1 (0.46) GAAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5000893 0.84 ABCG2 (0.52) MEN1KMT2AGAAGFERDHFR
SCHEMBL4997411 0.84 ALDH1A1 (0.53) GFERDHFRALDH1A1MAPTCYP1A2
SCHEMBL5003393 0.84 KDM4E (0.53) KMT2ADHFRALDH1A1MAPTSMN1; SMN2
SCHEMBL5000830 0.81 MEN1 (0.45) MEN1KMT2AGAAGFERDHFR
SCHEMBL4993619 0.81 DHFR (0.46) MEN1KMT2AGAAGFERDHFR
SCHEMBL4994785 0.81 SLC6A2 (0.47) MEN1KMT2AGAAGFERDHFR
SCHEMBL5003300 0.81 DRD2 (0.46) MEN1KMT2AGAAGFERDHFR
SCHEMBL5000719 0.80 CYP11B1 (0.47) MEN1KMT2AGAAGFERDHFR

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 MEN1 1557/4885KMT2A 4601/4885GAA 2137/4885

“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.