SCHEMBL5000712

SCHEMBL5000712

Cc1ccc(-c2cncc(N3CCN(c4ccc(C)cc4)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.52
DGAT1 O75907 2/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
DHFR P00374 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
MAOA P21397 1/20 0.41
ADRB1 P08588 1/20 0.41
C1S P09871 1/20 0.41
PIM2 Q9P1W9 1/20 0.40
RAD52 P43351 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
SCHEMBL4995137 0.93 MEN1 (0.48) CHEK1DGAT1CYP11B1CYP11B2
SCHEMBL5003465 0.93 MEN1 (0.48) CHEK1DGAT1CYP11B1CYP11B2
SCHEMBL4996226 0.93 CHEK1 (0.48) CHEK1PIM2RAD52
SCHEMBL4996260 0.93 CHEK1 (0.48) CHEK1PIM2
SCHEMBL5000847 0.93 CHEK1 (0.46) CHEK1DGAT1CLK2CLK3DYRK1A
SCHEMBL4992090 0.91 ALDH1A1 (0.48) CHEK1DGAT1CLK2CLK3DYRK1A
SCHEMBL4991463 0.91 CHEK1 (0.45) CHEK1DGAT1CLK2CLK3DYRK1A
SCHEMBL4991478 0.90 CHEK1 (0.43) CHEK1DGAT1CLK2CLK3DYRK1A
SCHEMBL4993709 0.90 PIM1 (0.49) CHEK1DGAT1DHFRCYP11B1CYP11B2
SCHEMBL4993330 0.89 CHEK1 (0.57) CHEK1

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 1668/4885DGAT1 4877/4885CLK2 1374/4885

“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.