SCHEMBL5872979

SCHEMBL5872979

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
NTRK1 P04629 1/20 0.39
DHODH Q02127 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CTSA P10619 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
MAP2K4 P45985 1/20 0.37
GPR35 Q9HC97 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL5767627 0.90 MAP2K4 (0.43) PIM1DHODHKDM4ELMNAHTT
SCHEMBL5747881 0.86 KDM4E (0.45) PIM1KDM4ELMNAHTTALDH1A1
SCHEMBL5873073 0.85 PIM1 (0.40) PIM1HTTALDH1A1WNT1DYRK1A
SCHEMBL5873110 0.85 MKNK1 (0.42) PIM1NTRK1LRRK2PIM3PIM2
SCHEMBL5872961 0.83 NAMPT (0.38) PIM1HTTALDH1A1ATAD2WNT1
SCHEMBL5769495 0.81 GPR35 (0.39) KDM4ELMNAALDH1A1ATAD2MAP2K4
SCHEMBL5873098 0.81 KDM5A (0.39) PIM1WNT1DYRK1A
SCHEMBL5873068 0.81 ALDH1A1 (0.42) KDM4ELMNAHTTALDH1A1
SCHEMBL5872927 0.80 ALDH1A1 (0.41) KDM4ELMNAALDH1A1DYRK1A
SCHEMBL5873067 0.76 MKNK1 (0.43) PIM1KDM4EHTTALDH1A1MAP2K4

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 1909/4885NTRK1 4731/4885DHODH 170/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885NTRK1 4731/4885DHODH 170/4885

“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.