SCHEMBL5770403

SCHEMBL5770403

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.42
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
KDR P35968 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
DYRK1A Q13627 3/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
NAMPT P43490 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
KDM5A P29375 1/20 0.35
WNT1 P04628 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KIT P10721 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
SCHEMBL5873054 0.92 PIM1 (0.40) PIM1ALDH1A1HTTKMT2AMEN1
SCHEMBL5872958 0.92 MKNK1 (0.43) PIM1ALDH1A1HTTKMT2AMEN1
SCHEMBL5873158 0.92 PIM1 (0.39) PIM1ALDH1A1HTTDYRK1AHCRTR1
SCHEMBL5872913 0.91 DYRK1A (0.40) PIM1ALDH1A1HTTKMT2AMEN1
SCHEMBL5872946 0.91 HRH4 (0.40) PIM1ALDH1A1HTTKDRKMT2A
SCHEMBL5873025 0.91 ALDH1A1 (0.43) PIM1ALDH1A1HTTKMT2AMEN1
SCHEMBL5872792 0.91 TSHR (0.41) PIM1ALDH1A1HTTKMT2AMEN1
SCHEMBL5873145 0.90 TACR3 (0.40) ALDH1A1KMT2AMEN1DYRK1ACLK2
SCHEMBL5873229 0.89 DRD2 (0.35) PIM1ALDH1A1HTTKMT2AMEN1
SCHEMBL5873165 0.89 SLC6A7 (0.41) PIM1ALDH1A1HTTKMT2AMEN1

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.