SCHEMBL4091380

SCHEMBL4091380

O=c1[nH]ccc2c3nc(N4CCC(=NOCCN5CCOCC5)CC4)n(Cc4ccccc4)c3c3ccc(F)cc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.37
FLT3 P36888 2/20 0.36
JAK2 O60674 3/20 0.36
JAK3 P52333 3/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
DPP4 P27487 1/20 0.36
GNRHR P30968 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
HTR3A P46098 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
IKBKB O14920 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
SCHEMBL4097802 0.84 CHEK1 (0.36) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4104674 0.83 DPP4 (0.35) FLT3DPP4GNRHRALDH1A1HPGD
SCHEMBL2357922 0.81 CHEK1 (0.45) CHEK1FLT3JAK2JAK3JAK1
SCHEMBL4099627 0.78 MAPK1 (0.47) CHEK1FLT3JAK2JAK3JAK1
SCHEMBL4092163 0.74 CHEK1 (0.42) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4090773 0.73 CHEK1 (0.53) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL5763548 0.72 CHEK1 (0.56) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4103659 0.69 DPP4 (0.33) DPP4ALDH1A1LMNAKDM4E
SCHEMBL3311129 0.67 CHEK1 (0.51) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL2355309 0.67 JAK2 (0.40) CHEK1JAK2JAK3JAK1TYK2

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
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
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
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO 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 412/4885FLT3 53/4885JAK2 2/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 CHEK1 412/4885FLT3 53/4885JAK2 2/4885

“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.