SCHEMBL5873068

SCHEMBL5873068

Cc1cc(F)cc2c(-c3nc(C(=O)N4CCN(c5ccccn5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 1/20 0.40
PARP1 P09874 3/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 3/20 0.39
RCE1 Q9Y256 1/20 0.39
GRM5 P41594 2/20 0.39
HPGD P15428 2/20 0.39
SLC6A7 Q99884 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NOD2 Q9HC29 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 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
SCHEMBL5873016 0.93 KDM4E (0.44) ALDH1A1KMT2AKDM4ETSHRMAPK1
SCHEMBL5873073 0.89 PIM1 (0.40) ALDH1A1KMT2AHTT
SCHEMBL5872927 0.89 ALDH1A1 (0.41) ALDH1A1KMT2APARP1KDM4ETSHR
SCHEMBL5873110 0.87 MKNK1 (0.42)
SCHEMBL5872961 0.87 NAMPT (0.38) ALDH1A1KMT2APARP1MAPTHTT
SCHEMBL5873045 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ETSHRMAPK1
SCHEMBL5873155 0.86 SLC6A7 (0.42) ALDH1A1KMT2APARP1KDM4ESLC6A7
SCHEMBL5872965 0.81 KMT2A (0.43) ALDH1A1KMT2APARP1NPSR1MAPT
SCHEMBL5873098 0.81 KDM5A (0.39)
SCHEMBL5872959 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4ETSHRMAPK1

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 2272/4885KMT2A 3223/4885PARP1 211/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885KMT2A 3223/4885PARP1 211/4885

“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.