SCHEMBL4874244

SCHEMBL4874244

Cc1nccnc1-c1ccc2cc(-c3c(C4CCCCC4)c4sc(C(=O)O)cc4n3CC(=O)N(C)C)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.34
CDK9 P50750 2/20 0.34
CASP7 P55210 2/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
MAPT P10636 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAT2A P31153 1/20 0.31

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
SCHEMBL14294216 0.93 KCNH2 (0.31) KCNH2MAT2A
SCHEMBL4871957 0.90 ALDH1A1 (0.35) MAPTGRIN1GRIN2B
SCHEMBL4878151 0.88 KCNH2 (0.38) CASP3CDK9CASP7CDK1CDK2
SCHEMBL4874257 0.85 GRIN2B (0.34) GRIN1GRIN2B
SCHEMBL4877464 0.85 CYP2D6 (0.34) MAPTGRIN1GRIN2BCYP2D6HRH1
SCHEMBL4876346 0.84 GRIN2B (0.35) MAPTGRIN2BCYP2D6HRH1KCNH2
SCHEMBL4873951 0.83 GRIN2B (0.38) GRIN1GRIN2BCYP2D6
SCHEMBL4876033 0.80 KCNH2 (0.40) KCNH2MAT2A
SCHEMBL4876339 0.80 KCNH2 (0.35) CASP3CDK9CASP7CDK1CDK2
SCHEMBL14294869 0.80 MAPT (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CASP3 279/4885CDK9 332/4885CASP7 256/4885

“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.