SCHEMBL5795447

SCHEMBL5795447

Cc1cccc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
HTR2C P28335 1/20 0.38
KDR P35968 1/20 0.38
DYRK1A Q13627 2/20 0.37
TNKS O95271 1/20 0.37
NAMPT P43490 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 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
SCHEMBL5872880 0.92 CYP2C9 (0.43) PIM1ALDH1A1HTTDRD2DRD3
SCHEMBL5872872 0.91 MKNK1 (0.45) PIM1HTTHRH4DRD2DRD3
SCHEMBL5872948 0.91 ALDH1A1 (0.39) PIM1ALDH1A1HTTDRD2DRD3
SCHEMBL5773190 0.91 HTR2C (0.45) PIM1ALDH1A1HTTHTR2C
SCHEMBL5774021 0.90 NPC1 (0.44) PIM1ALDH1A1HTTDRD2DRD3
SCHEMBL5769525 0.90 PIM1 (0.41) PIM1ALDH1A1HTTHRH4KDR
SCHEMBL5873004 0.90 PIM1 (0.42) PIM1ALDH1A1HTTHRH4DRD2
SCHEMBL5770403 0.89 PIM1 (0.42) PIM1ALDH1A1HTTKDRDYRK1A
SCHEMBL5873061 0.89 KDM4E (0.41) ALDH1A1DRD2DRD3DYRK1AABCG2
SCHEMBL5769674 0.88 PIM1 (0.40) PIM1ALDH1A1HTTKDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
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
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO 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 1909/4885ALDH1A1 2272/4885HTT 4301/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885ALDH1A1 2272/4885HTT 4301/4885

“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.