SCHEMBL5872872

SCHEMBL5872872

Cc1cccc2c(-c3nc(C(=O)N4CCNCC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
HTR2C P28335 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
PIM1 P11309 5/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PTK6 Q13882 1/20 0.37
REN P00797 4/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ATAD2 Q6PL18 1/20 0.35

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
SCHEMBL5872940 0.97 MKNK1 (0.42) MKNK1MKNK2HTR2CHRH4PIM1
SCHEMBL5872880 0.92 CYP2C9 (0.43) HTR2CPIM1DRD2DRD3KDM5A
SCHEMBL5795447 0.91 PIM1 (0.41) HTR2CHRH4PIM1DRD2DRD3
SCHEMBL5773190 0.91 HTR2C (0.45) HTR2CPIM1KDM4EHTT
SCHEMBL5873067 0.90 MKNK1 (0.43) MKNK1MKNK2HTR2CHRH4PIM1
SCHEMBL5872958 0.89 MKNK1 (0.43) MKNK1MKNK2HTR2CPIM1PIM3
SCHEMBL5769674 0.88 PIM1 (0.40) PIM1KDM5AKDM4ELMNAHTT
SCHEMBL5774021 0.88 NPC1 (0.44) PIM1DRD2DRD3LMNAHTT
SCHEMBL5872987 0.88 MKNK1 (0.44) MKNK1MKNK2HTR2CPIM1PIM3
SCHEMBL5873110 0.88 MKNK1 (0.42) MKNK1MKNK2PIM1PIM3PIM2

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 2127/4885HTR2C 3763/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MKNK1 2151/4885MKNK2 2127/4885HTR2C 3763/4885

“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.