SCHEMBL660213

SCHEMBL660213

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5c(F)cccc5F)c4n3)cc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.58
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CCND2 P30279 2/20 0.46
CCND3 P30281 2/20 0.46

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
SCHEMBL660399 0.79 PAK3 (0.56) JAK3CCND3
SCHEMBL660442 0.78 PAK3 (0.52) JAK3CDK4CCND1CCND2CCND3
SCHEMBL10192736 0.77 PAK3 (0.53) JAK3CDK4CCND1CCND2CCND3
SCHEMBL660218 0.76 CDK4 (0.73) JAK3CDK4CCND1CCND2CCND3
SCHEMBL23444641 0.74 JAK3 (0.76) JAK3CDK4CCND1CCND2CCND3
SCHEMBL17645062 0.74 EGFR (0.50) JAK3CDK4CCND1CCND2CCND3
SCHEMBL23444026 0.74 JAK3 (1.00) JAK3
SCHEMBL17536952 0.73 WEE1 (0.64) CCND3
SCHEMBL28995531 0.73 JAK3 (0.72) JAK3
SCHEMBL23444100 0.73 JAK3 (1.00) JAK3

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-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 JAK3 2335/4885CDK4 1028/4885CCND1 4465/4885

“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.