SCHEMBL4876832

SCHEMBL4876832

CCC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2ccc(C)n2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
LMNA P02545 2/20 0.32
ADORA2A P29274 2/20 0.31
P2RX7 Q99572 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRHR1 P34998 3/20 0.30
HSD11B1 P28845 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 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
SCHEMBL4487540 0.75 FPR1 (0.33)
SCHEMBL3985848 0.75 FPR1 (0.34) MAPK14
SCHEMBL4479605 0.75 FPR1 (0.33)
SCHEMBL4488011 0.73 SHMT2 (0.38) MAPK14LMNAP2RX7SMN1; SMN2HSD11B1
SCHEMBL4489281 0.69 KCNH2 (0.34) LMNATSHRHTTSMN1; SMN2
SCHEMBL4492304 0.65 ACLY (0.31) TSHR
SCHEMBL4742985 0.65 USP1 (0.36)
SCHEMBL4485590 0.65 TP53 (0.33) SMN1; SMN2MAPTKMT2A
SCHEMBL3993899 0.65 TP53 (0.33) SMN1; SMN2MAPTKMT2A
SCHEMBL3986102 0.65 USP1 (0.31) KDM4E

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
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US claimed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 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-20080194585-A1 Fungicidal Pyrazine Derivatives CBR3, CBR1, NR0B1 MAPK13 2866/4885MAPK12 3290/4885MAPK11 2097/4885

“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.