SCHEMBL5872890

SCHEMBL5872890

O=C(c1nc(-c2n[nH]c3cc(Cl)ccc23)sc1-c1cccnc1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PIM1 P11309 7/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TTK P33981 1/20 0.39
AXL P30530 1/20 0.39
RBP4 P02753 1/20 0.38
MAP2K4 P45985 1/20 0.38
PTK6 Q13882 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NAMPT P43490 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL5872958 0.84 MKNK1 (0.43) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5872987 0.82 MKNK1 (0.44) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5873067 0.82 MKNK1 (0.43) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5872872 0.81 MKNK1 (0.45) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5873110 0.80 MKNK1 (0.42) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5872940 0.79 MKNK1 (0.42) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL5770403 0.76 PIM1 (0.42) PIM1ALDH1A1NAMPTWNT1DYRK1A
SCHEMBL5873172 0.76 DYRK1A (0.43) PIM1MAP2K4WNT1DYRK1A
SCHEMBL5872913 0.74 DYRK1A (0.40) PIM1ALDH1A1NAMPTWNT1DYRK1A
SCHEMBL5872946 0.74 HRH4 (0.40) PIM1ALDH1A1NAMPTHRH4WNT1

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 2127/4885PIM1 1909/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MKNK1 2151/4885MKNK2 2127/4885PIM1 1909/4885

“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.