SCHEMBL4995459

SCHEMBL4995459

N#Cc1cccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CHEK1 O14757 1/20 0.48
GRM5 P41594 2/20 0.45
DHFR P00374 1/20 0.45
PIM2 Q9P1W9 5/20 0.43
PDE4D Q08499 2/20 0.43
RAD52 P43351 1/20 0.43
SMG1 Q96Q15 1/20 0.42
BRAF P15056 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 2/20 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
SCHEMBL4997528 0.85 CHEK1 (0.65) CYP11B1CYP11B2CHEK1
SCHEMBL4997537 0.82 CYP11B1 (0.46) CYP11B1CYP11B2DHFRPIM2RAD52
SCHEMBL4987364 0.82 HRH2 (0.48) CYP11B1CYP11B2PIM2RAD52
SCHEMBL4997813 0.82 PIK3CA (0.55) CHEK1PIM2RAD52
SCHEMBL4996922 0.82 PIM2 (0.47) CYP11B1CYP11B2PIM2RAD52HSD17B10
SCHEMBL5000655 0.82 BRAF (0.50) CYP11B1CYP11B2CHEK1DHFRPIM2
SCHEMBL4997181 0.81 MAPT (0.47) CHEK1PIM2RAD52HSD17B10
SCHEMBL5000651 0.79 RAD52 (0.47) CYP11B1CYP11B2DHFRPIM2RAD52
SCHEMBL4997532 0.79 CNR2 (0.49) CYP11B1CYP11B2DHFRPIM2RAD52
SCHEMBL4997692 0.79 PIM2 (0.52) PIM2RAD52BRAF

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 CYP11B1 132/4885CYP11B2 112/4885CHEK1 1668/4885

“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.