SCHEMBL5872946

SCHEMBL5872946

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MAP4K1 Q92918 1/20 0.39
DYRK1A Q13627 3/20 0.38
WNT1 P04628 1/20 0.38
PIM1 P11309 2/20 0.37
KDR P35968 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
GSK3B P49841 1/20 0.35
NTRK1 P04629 1/20 0.35
NAMPT P43490 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL5872987 0.92 MKNK1 (0.44) ALDH1A1HTTPIM1HCRTR1HCRTR2
SCHEMBL5770403 0.91 PIM1 (0.42) ALDH1A1HTTDYRK1AWNT1PIM1
SCHEMBL5795447 0.88 PIM1 (0.41) HRH4ALDH1A1HTTDYRK1APIM1
SCHEMBL5873073 0.87 PIM1 (0.40) ALDH1A1HTTMAP4K1DYRK1AWNT1
SCHEMBL5771710 0.86 KDM5A (0.39) DYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5769944 0.86 KDM5A (0.39) DYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5769525 0.85 PIM1 (0.41) HRH4ALDH1A1HTTDYRK1AWNT1
SCHEMBL5872948 0.85 ALDH1A1 (0.39) ALDH1A1HTTDYRK1AWNT1PIM1
SCHEMBL5873054 0.83 PIM1 (0.40) ALDH1A1HTTPIM1HCRTR1HCRTR2
SCHEMBL5873004 0.83 PIM1 (0.42) HRH4ALDH1A1HTTDYRK1APIM1

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 HRH4 4233/4885ALDH1A1 2272/4885HTT 4301/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HRH4 4233/4885ALDH1A1 2272/4885HTT 4301/4885

“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.