SCHEMBL5872959

SCHEMBL5872959

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)N4CCN(Cc5ccccn5)CC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TACR3 P29371 1/20 0.41
PHGDH O43175 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
FABP6 P51161 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
JAK1 P23458 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
SCHEMBL5872927 0.93 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5873066 0.89 MEN1 (0.42) ALDH1A1KDM4ETACR3MEN1KMT2A
SCHEMBL5873016 0.88 KDM4E (0.44) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5873133 0.88 TACR3 (0.42) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5769525 0.87 PIM1 (0.41) ALDH1A1MEN1KMT2ACLK2CLK3
SCHEMBL5873035 0.87 PHGDH (0.36) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL5873193 0.87 DYRK1A (0.41) ALDH1A1KDM4EMEN1KMT2AABCB1
SCHEMBL5873067 0.85 MKNK1 (0.43) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5872886 0.85 NAMPT (0.39) ALDH1A1KDM4EMAPTTACR3MEN1
SCHEMBL5873155 0.84 SLC6A7 (0.42) ALDH1A1KDM4EMAPTTACR3MEN1

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 ALDH1A1 2272/4885KDM4E 2869/4885MAPT 3874/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885KDM4E 2869/4885MAPT 3874/4885

“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.