SCHEMBL5873061

SCHEMBL5873061

Cc1cccc2c(-c3nc(C(=O)N4CCN(Cc5ccncc5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
WNT1 P04628 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
ABCB1 P08183 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
FABP6 P51161 1/20 0.40
ABCC1 P33527 1/20 0.40
TACR3 P29371 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38

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
SCHEMBL5873066 0.91 MEN1 (0.42) KDM4EALDH1A1WNT1CLK2CLK3
SCHEMBL5873145 0.91 TACR3 (0.40) KDM4EALDH1A1WNT1CLK2CLK3
SCHEMBL5774021 0.89 NPC1 (0.44) ALDH1A1TACR3DRD2DRD3PARP1
SCHEMBL5795447 0.89 PIM1 (0.41) ALDH1A1CLK2CLK3DYRK1AABCB1
SCHEMBL5872880 0.88 CYP2C9 (0.43) ALDH1A1DRD2DRD3
SCHEMBL5872872 0.87 MKNK1 (0.45) KDM4EDRD2DRD3
SCHEMBL5773190 0.86 HTR2C (0.45) KDM4EALDH1A1
SCHEMBL5769674 0.84 PIM1 (0.40) KDM4EALDH1A1
SCHEMBL5872940 0.84 MKNK1 (0.42) DRD2DRD3PARP1
SCHEMBL5772558 0.84 ADORA2A (0.39) 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 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 KDM4E 2869/4885ALDH1A1 2272/4885WNT1 3712/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885ALDH1A1 2272/4885WNT1 3712/4885

“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.