SCHEMBL5000655

SCHEMBL5000655

COc1ccc(N2CCN(c3cncc(-c4cccc(C#N)c4)n3)CC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.50
CHEK1 O14757 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
RAD52 P43351 1/20 0.43
DHFR P00374 1/20 0.42
KIT P10721 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
TNIK Q9UKE5 1/20 0.41
PIM2 Q9P1W9 2/20 0.41
POLB P06746 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
SUV39H2 Q9H5I1 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
SCHEMBL5000665 0.85 NPC1 (0.50) RAD52DHFRALDH1A1MAPTPIM2
SCHEMBL4987417 0.85 RAD52 (0.45) RAD52ALDH1A1MAPTHPGDHSD17B10
SCHEMBL4995459 0.82 CYP11B1 (0.48) BRAFCHEK1CYP11B1CYP11B2RAD52
SCHEMBL5000876 0.81 ALDH1A1 (0.43) RAD52ALDH1A1MAPTHPGDHSD17B10
SCHEMBL4994661 0.80 ACVR1 (0.42) RAD52MAPTKCNH2TNIKHTR7
SCHEMBL4994280 0.80 MAP4K1 (0.45) CHEK1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL4996131 0.79 FYN (0.43) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL4993234 0.78 RAD52 (0.42) CHEK1RAD52LMNAMAPTPIM2
SCHEMBL5000890 0.78 ALDH1A1 (0.45) CHEK1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL4997510 0.78 MAPT (0.60) ALDH1A1LMNAMAPTHPGDHSD17B10

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 BRAF 478/4885CHEK1 1668/4885CYP11B1 132/4885

“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.