SCHEMBL5873054

SCHEMBL5873054

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.40
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
LCK P06239 1/20 0.35
PTK6 Q13882 1/20 0.35
MET P08581 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALPL P05186 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TACR3 P29371 1/20 0.34

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
SCHEMBL5770403 0.92 PIM1 (0.42) PIM1MEN1ALDH1A1HTTKMT2A
SCHEMBL5873229 0.91 DRD2 (0.35) PIM1DRD2DRD3MEN1ALDH1A1
SCHEMBL5873145 0.90 TACR3 (0.40) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL5872958 0.89 MKNK1 (0.43) PIM1PTK6MEN1ALDH1A1HTT
SCHEMBL5872913 0.88 DYRK1A (0.40) PIM1MEN1ALDH1A1HTTKMT2A
SCHEMBL5872792 0.88 TSHR (0.41) PIM1KDM4EMEN1ALDH1A1HTT
SCHEMBL5873025 0.88 ALDH1A1 (0.43) PIM1MAPTMEN1ALDH1A1HTT
SCHEMBL5873133 0.88 TACR3 (0.42) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL5873165 0.86 SLC6A7 (0.41) PIM1MAPTMEN1ALDH1A1HTT
SCHEMBL5873094 0.86 ADORA2A (0.37) PIM1HCRTR1HCRTR2

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 PIM1 1909/4885DRD2 4757/4885DRD3 4601/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885DRD2 4757/4885DRD3 4601/4885

“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.