SCHEMBL12846124

SCHEMBL12846124

CCc1c2c(c3cc[nH]c3c1F)C(=O)NC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33
CDK2 P24941 4/20 0.33
CASP3 P42574 1/20 0.33
CDK4 P11802 4/20 0.32
CCND1 P24385 4/20 0.32
CCNE2 O96020 3/20 0.32
CCNE1 P24864 3/20 0.32
PRKACA P17612 2/20 0.31
PRKACG P22612 2/20 0.31
PRKACB P22694 2/20 0.31
CCR8 P51685 1/20 0.31
KMT2A Q03164 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL12846120 0.73 ESR1 (0.31) CCR8KMT2A
SCHEMBL12846128 0.72 CHEK1 (0.42) CHEK1CDK4CCND1
SCHEMBL12845915 0.71 CDK4 (0.64) PARP1CHEK1CDK2CDK4CCND1
SCHEMBL11517007 0.66 GSK3B (0.35) CHEK1WEE1CDK2CDK4CCND1
SCHEMBL2086780 0.64 PARP1 (1.00) PARP1
SCHEMBL14495382 0.63 CFB (0.37) CCR8KMT2A
SCHEMBL10262821 0.61 P2RX7 (0.41) PARP1KMT2A
SCHEMBL13991817 0.60 CCR8 (0.36) PARP1CCR8KMT2A
SCHEMBL820394 0.60 CCR8 (0.37) CCR8KMT2A
SCHEMBL2542070 0.60 TNF (0.45) PARP1PRKACACCR8KMT2AGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 EP disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 US disclosed

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-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PARP1 3/4885CHEK1 193/4885WEE1 203/4885

“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.