SCHEMBL5872987

SCHEMBL5872987

Cc1c(F)ccc2c(-c3nc(C(=O)N4CCNCC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
REN P00797 5/20 0.37
KDM5A P29375 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PTK6 Q13882 1/20 0.35
PIM1 P11309 4/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
MAPK14 Q16539 1/20 0.34
NTRK1 P04629 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
SCHEMBL5872946 0.92 HRH4 (0.40) HCRTR1HCRTR2PIM1MEN1ALDH1A1
SCHEMBL5872958 0.91 MKNK1 (0.43) MKNK1MKNK2KDM5AHCRTR1HCRTR2
SCHEMBL5872872 0.88 MKNK1 (0.45) MKNK1MKNK2RENKDM5APTK6
SCHEMBL5873110 0.87 MKNK1 (0.42) MKNK1MKNK2RENKDM5AHCRTR1
SCHEMBL5769944 0.86 KDM5A (0.39) KDM5AHCRTR1HCRTR2
SCHEMBL5771710 0.86 KDM5A (0.39) KDM5AHCRTR1HCRTR2
SCHEMBL5872940 0.85 MKNK1 (0.42) MKNK1MKNK2RENKDM5APTK6
SCHEMBL5873067 0.85 MKNK1 (0.43) MKNK1MKNK2KDM5APTK6PIM1
SCHEMBL5770403 0.83 PIM1 (0.42) KDM5AHCRTR1HCRTR2PIM1MEN1
SCHEMBL5872890 0.82 MKNK1 (0.43) MKNK1MKNK2PTK6PIM1PIM3

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 MKNK1 2151/4885MKNK2 2127/4885REN 2949/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MKNK1 2151/4885MKNK2 2127/4885REN 2949/4885

“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.