SCHEMBL5873005

SCHEMBL5873005

COc1ccc(-c2sc(-c3n[nH]c4c(C)cccc34)nc2C(=O)N2CCN(C)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
PIK3CD O00329 3/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 2/20 0.44
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
TNKS O95271 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5795447 0.85 PIM1 (0.41) TNKSALDH1A1HRH4HTR2C
SCHEMBL5770583 0.85 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EMEN1ALDH1A1
SCHEMBL5772442 0.84 HRH4 (0.43) HCRTR1HCRTR2TNKSMEN1KMT2A
SCHEMBL5771568 0.83 MAP4K4 (0.42) HCRTR1HCRTR2TNKSADORA2BHRH4
SCHEMBL5770792 0.82 HRH4 (0.42) HCRTR1HCRTR2TNKSHRH4TLR8
SCHEMBL5771577 0.81 HRH4 (0.41) TNKSKDM4EHRH4HTR2C
SCHEMBL5872880 0.77 CYP2C9 (0.43) ALDH1A1CYP2C9HPGDTSHRADORA2A
SCHEMBL5873004 0.77 PIM1 (0.42) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL5872872 0.77 MKNK1 (0.45) KDM4EHRH4HTR2C
SCHEMBL5872948 0.76 ALDH1A1 (0.39) ALDH1A1PTGS2KMT2AADORA2AADORA2B

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KCNH2 4483/4885PIK3CD 3664/4885PIK3CA 3406/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KCNH2 4483/4885PIK3CD 3664/4885PIK3CA 3406/4885

“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.