SCHEMBL5873145

SCHEMBL5873145

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CCN(Cc5ccncc5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
WNT1 P04628 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
POLB P06746 2/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
LSS P48449 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5873061 0.91 KDM4E (0.41) TACR3ABCG2WNT1DYRK1ACLK2
SCHEMBL5873025 0.90 ALDH1A1 (0.43) TACR3ALDH1A1POLBLMNAMEN1
SCHEMBL5873054 0.90 PIM1 (0.40) TACR3L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL5770403 0.90 PIM1 (0.42) WNT1DYRK1ACLK2CLK3ALDH1A1
SCHEMBL5873133 0.90 TACR3 (0.42) TACR3L3MBTL1ABCG2DYRK1ACLK2
SCHEMBL5872958 0.88 MKNK1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL5873066 0.88 MEN1 (0.42) TACR3ABCG2WNT1DYRK1ACLK2
SCHEMBL5872913 0.88 DYRK1A (0.40) WNT1DYRK1AALDH1A1MEN1KMT2A
SCHEMBL5873229 0.87 DRD2 (0.35) TACR3L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5872792 0.87 TSHR (0.41) KDM4EALDH1A1POLBLMNAMEN1

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 TACR3 4662/4885L3MBTL1 613/4885ABCG2 658/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TACR3 4662/4885L3MBTL1 613/4885ABCG2 658/4885

“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.