SCHEMBL5873004

SCHEMBL5873004

Cc1ccc(C)c2c(-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 4/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
NAMPT P43490 1/20 0.36
TACR3 P29371 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDR P35968 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL5795447 0.90 PIM1 (0.41) PIM1ALDH1A1HTTNAMPTABCG2
SCHEMBL5769525 0.86 PIM1 (0.41) PIM1ALDH1A1HTTMEN1KMT2A
SCHEMBL5873073 0.85 PIM1 (0.40) PIM1ALDH1A1HTTMEN1KMT2A
SCHEMBL5872921 0.85 KDM5A (0.39) PIM1DYRK1AHRH3
SCHEMBL5770403 0.84 PIM1 (0.42) PIM1ALDH1A1HTTMEN1KMT2A
SCHEMBL5872946 0.83 HRH4 (0.40) PIM1ALDH1A1HTTMEN1KMT2A
SCHEMBL5872932 0.83 ATAD2 (0.40) PIM1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5872948 0.82 ALDH1A1 (0.39) PIM1ALDH1A1HTTKMT2ANAMPT
SCHEMBL5872880 0.82 CYP2C9 (0.43) PIM1ALDH1A1HTTDRD2DRD3
SCHEMBL5872872 0.81 MKNK1 (0.45) PIM1HTTDRD2DRD3HRH4

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 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.