SCHEMBL4721165

SCHEMBL4721165

CCOC(=O)c1ccn(-c2c(-c3ccc(F)cc3)noc2C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MMP13 P45452 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL6004480 0.86 MEN1 (0.36) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL4721539 0.86 JAK2 (0.42) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL4760676 0.81 ENPP2 (0.42) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL4718956 0.81 HPGD (0.41) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL4723642 0.78 POLB (0.46) MEN1KMT2ASMN1; SMN2JAK2JAK3
SCHEMBL4789971 0.74 POLB (0.44) LMNASMN1; SMN2JAK2JAK3PTK2
SCHEMBL6004025 0.73 GRM5 (0.34) ALDH1A1MEN1KMT2AJAK2JAK3
SCHEMBL6004475 0.72 USP30 (0.42) ALDH1A1HPGDKDM4EJAK2GPR119
SCHEMBL14635882 0.71 GPR119 (0.48) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL31227749 0.71 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ELMNAMEN1

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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 (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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 ALDH1A1 4346/4885HPGD 2186/4885KDM4E 3178/4885

“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.