SCHEMBL4873079

SCHEMBL4873079

Cc1nc(C)c(-c2ccc3cc(-c4c(C5=CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GRIN2B Q13224 4/20 0.34
PSMB5 P28074 1/20 0.34
MAT2A P31153 1/20 0.32
AURKA O14965 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
AURKB Q96GD4 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL3931413 0.89 BRD4 (0.42) BRD4CREBBPGRIN2BTP53CYP3A4
SCHEMBL4872112 0.85 GRIN2B (0.39) BRD4CREBBPGRIN2BTP53CYP3A4
SCHEMBL4875180 0.85 KCNH2 (0.38) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL3931408 0.85 KCNH2 (0.37) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL14311461 0.84 KCNH2 (0.37) KCNH2HRH3MAT2A
SCHEMBL4876223 0.84 GRIN2B (0.39) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL4876347 0.84 GRIN2B (0.39) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL4875992 0.84 KCNH2 (0.38) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL3934917 0.83 GRIN2B (0.38) KCNH2HRH3GRIN2BGAAMAPT
SCHEMBL4874715 0.83 BRD4 (0.38) BRD4CREBBPKCNH2HRH3GRIN2B

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 BRD4 3577/4885CREBBP 2805/4885KCNH2 2647/4885

“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.