SCHEMBL4987930

SCHEMBL4987930

Cc1cc(C)cc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM2 Q9P1W9 4/20 0.40
CHKA P35790 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CHEK1 O14757 3/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CSNK1E P49674 1/20 0.39
LATS1 O95835 1/20 0.39
MAPT P10636 1/20 0.39
MELK Q14680 1/20 0.39
DHFR P00374 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NPC1 O15118 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
SCHEMBL4991478 0.90 CHEK1 (0.43) RAD52CLK2CLK3DYRK1APIM2
SCHEMBL4995501 0.89 MAPT (0.49) RAD52PIM2CHEK1MAPTPIM1
SCHEMBL4996922 0.88 PIM2 (0.47) RAD52CLK2CLK3DYRK1APIM2
SCHEMBL5000847 0.88 CHEK1 (0.46) CLK2CLK3DYRK1ACHKACYP11B1
SCHEMBL4992145 0.87 MAPT (0.48) RAD52CLK2CLK3DYRK1ACYP11B1
SCHEMBL4997622 0.82 KDM4E (0.47) RAD52CLK2CLK3DYRK1APIM2
SCHEMBL5000886 0.82 MAPT (0.46) RAD52CLK2CLK3DYRK1AMAPT
SCHEMBL4997181 0.82 MAPT (0.47) RAD52PIM2CHKACHEK1ROCK2
SCHEMBL4997106 0.81 PIM1 (0.47) PIM2CHKACYP11B1CYP11B2MAPT
SCHEMBL4994661 0.80 ACVR1 (0.42) RAD52MAPTGAA

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 RAD52 1663/4885CLK2 1374/4885CLK3 1561/4885

“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.