SCHEMBL5873133

SCHEMBL5873133

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CCN(Cc5ccccn5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F10 P00742 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
EPHX2 P34913 1/20 0.36
FABP6 P51161 1/20 0.35
THRB P10828 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL5873145 0.90 TACR3 (0.40) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5873045 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5872959 0.88 ALDH1A1 (0.42) TACR3ALDH1A1KDM4EMAPTTSHR
SCHEMBL5873054 0.88 PIM1 (0.40) TACR3ALDH1A1KDM4EMAPTMEN1
SCHEMBL5872792 0.88 TSHR (0.41) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL5770403 0.87 PIM1 (0.42) ALDH1A1MEN1KMT2ACLK2CLK3
SCHEMBL5872927 0.86 ALDH1A1 (0.41) TACR3ALDH1A1KDM4EMAPTTSHR
SCHEMBL5872958 0.86 MKNK1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL5872913 0.85 DYRK1A (0.40) ALDH1A1MEN1KMT2ADYRK1A
SCHEMBL5873229 0.85 DRD2 (0.35) TACR3ALDH1A1MEN1KMT2AL3MBTL1

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 4662/4885ALDH1A1 2272/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TACR3 4662/4885ALDH1A1 2272/4885KDM4E 2869/4885

“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.