SCHEMBL4096864

SCHEMBL4096864

COc1nnc(Cl)c(C)c1I

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6937873 0.79 CYP1A2 (0.36) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL31361283 0.72 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL25072297 0.69 NOTUM (0.32)
SCHEMBL2044551 0.67 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP2C19
SCHEMBL29417495 0.66 PDE10A (0.33)
SCHEMBL581530 0.66 PDE10A (0.33)
SCHEMBL30331697 0.64
SCHEMBL28904626 0.64 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL11916236 0.64 MEN1 (0.32) MEN1KMT2A
SCHEMBL1750877 0.61 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19MEN1KMT2A

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-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 ALDH1A1 3857/4885CYP1A2 3396/4885CYP2C19 3165/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 ALDH1A1 3857/4885CYP1A2 3396/4885CYP2C19 3165/4885

“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.