SCHEMBL4098541

SCHEMBL4098541

O=c1[nH]ccc2c3sc(-c4ccccc4)nc3c3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.42
PARP1 P09874 3/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TYMS P04818 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAPT P10636 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2358555 0.87 CHEK1 (0.60) CHEK1PIM1CLK4JAK2JAK1
SCHEMBL4099692 0.82 CHEK1 (0.42) CHEK1PARP1ALDH1A1TYMSPIM1
SCHEMBL13741467 0.81 TLR8 (0.48) CHEK1PARP1ALDH1A1TYMSPIM1
SCHEMBL24476715 0.77 ADORA3 (0.44) ALDH1A1MEN1KMT2AMAPTADORA3
SCHEMBL4096833 0.77 PARP1 (0.37) CHEK1PARP1ALDH1A1TYMSPIM1
SCHEMBL4341946 0.74 ALDH1A1 (0.41) PARP1ALDH1A1MEN1KMT2APIM1
SCHEMBL28561318 0.74 SMN1; SMN2 (0.47) PARP1ALDH1A1MEN1KMT2APIM1
SCHEMBL6103033 0.74 ELANE (0.41) CHEK1PARP1ALDH1A1MEN1KMT2A
SCHEMBL11285870 0.70 PARP1 (0.45) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14703208 0.69 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CHEK1 412/4885PARP1 1861/4885ALDH1A1 3857/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 CHEK1 412/4885PARP1 1861/4885ALDH1A1 3857/4885

“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.