SCHEMBL1324734

SCHEMBL1324734

CC(=O)OCCNC(c1ccc(F)cc1)c1nc(Nc2cc[nH]n2)n2cccc2n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
GPR139 Q6DWJ6 1/20 0.31

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
SCHEMBL1299137 0.87 CSNK1D (0.30) CSNK1DCSNK1E
SCHEMBL1298491 0.79 JAK2 (0.38) KDM4EALDH1A1HPGDCSNK1DCSNK1E
SCHEMBL1298977 0.79 GPR139 (0.31) KDM4EALDH1A1HPGDCSNK1DCSNK1E
SCHEMBL1298537 0.79 ALDH1A1 (0.35) KDM4EALDH1A1HPGDCSNK1DCSNK1E
SCHEMBL1298213 0.78 CSNK1D (0.31) CSNK1DCSNK1E
SCHEMBL1298741 0.77 CSNK1D (0.32) CSNK1DCSNK1E
SCHEMBL1299071 0.76 CSNK1D (0.31) CSNK1DCSNK1E
SCHEMBL1298181 0.72 CSNK1D (0.39) KDM4EALDH1A1HPGDCSNK1DCSNK1E
SCHEMBL3249781 0.71 JAK2 (0.46)
SCHEMBL1297982 0.71 JAK2 (0.31)

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US claimed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 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 (1 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KDM4E 1049/4885ALDH1A1 4263/4885HPGD 1218/4885

“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.