SCHEMBL5872940

SCHEMBL5872940

Cc1cccc2c(-c3nc(C(=O)N4CCCNCC4)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
PIM1 P11309 4/20 0.40
HTR2C P28335 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CYP2C9 P11712 1/20 0.36
PARP1 P09874 3/20 0.36
KDM5A P29375 1/20 0.36
PTK6 Q13882 1/20 0.35
REN P00797 1/20 0.35
ATR Q13535 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HPGD P15428 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
SCHEMBL5872872 0.97 MKNK1 (0.45) MKNK1MKNK2PIM1HTR2CHRH4
SCHEMBL5872880 0.93 CYP2C9 (0.43) PIM1HTR2CCYP2C9KDM5ADRD2
SCHEMBL5795447 0.88 PIM1 (0.41) PIM1HTR2CHRH4DRD2DRD3
SCHEMBL5773190 0.88 HTR2C (0.45) PIM1HTR2CHPGD
SCHEMBL5873067 0.87 MKNK1 (0.43) MKNK1MKNK2PIM1HTR2CHRH4
SCHEMBL5872958 0.86 MKNK1 (0.43) MKNK1MKNK2PIM1HTR2CPIM3
SCHEMBL5873211 0.86 CYP2C9 (0.48) PIM1HRH4CYP2C9KDM5A
SCHEMBL5774021 0.85 NPC1 (0.44) PIM1CYP2C9PARP1DRD2DRD3
SCHEMBL5769674 0.85 PIM1 (0.40) PIM1CYP2C9KDM5A
SCHEMBL5872987 0.85 MKNK1 (0.44) MKNK1MKNK2PIM1HTR2CPIM3

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.