SCHEMBL5873110

SCHEMBL5873110

Cc1cc(F)cc2c(-c3nc(C(=O)N4CCNCC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPK14 Q16539 1/20 0.37
PIM1 P11309 5/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PTK6 Q13882 1/20 0.37
KDM5A P29375 1/20 0.36
REN P00797 4/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
NAMPT P43490 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL5873073 0.92 PIM1 (0.40) HCRTR1HCRTR2PIM1ABL1BCR
SCHEMBL5873067 0.92 MKNK1 (0.43) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5872961 0.90 NAMPT (0.38) HCRTR1HCRTR2PIM1KDM5AABL1
SCHEMBL5872872 0.88 MKNK1 (0.45) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5873068 0.87 ALDH1A1 (0.42)
SCHEMBL5872987 0.87 MKNK1 (0.44) MKNK1MKNK2HCRTR1HCRTR2MAPK14
SCHEMBL5872927 0.86 ALDH1A1 (0.41) HCRTR1HCRTR2NAMPT
SCHEMBL5873098 0.86 KDM5A (0.39) HCRTR1HCRTR2PIM1KDM5A
SCHEMBL5872940 0.85 MKNK1 (0.42) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5872979 0.85 PIM1 (0.40) PIM1PIM3PIM2LRRK2NTRK1

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 2127/4885HCRTR1 4881/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MKNK1 2151/4885MKNK2 2127/4885HCRTR1 4881/4885

“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.