SCHEMBL10050449

SCHEMBL10050449

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc3cc(-c4ccc(F)c(C(F)(F)F)c4)ccc3nc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
MPL P40238 3/20 0.35
AR P10275 5/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PGR P06401 1/20 0.33
CXCR3 P49682 2/20 0.32
KMO O15229 1/20 0.31
BACE1 P56817 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
SCHEMBL10050460 0.87 KDM4E (0.37) PIK3R1PIK3CA
SCHEMBL10050463 0.87 KDM4E (0.37) PIK3R1PIK3CA
SCHEMBL10074505 0.87 PIK3R1 (0.42) PIK3R1PIK3CAMPLARCTSS
SCHEMBL2704131 0.86 MPL (0.39) MPLARCTSSCTSKPGR
SCHEMBL10050467 0.85 PIK3R1 (0.33) PIK3R1PIK3CAARCTSKPGR
SCHEMBL2706833 0.83 MPL (0.37) MPLARCTSSCTSKKMO
SCHEMBL10050465 0.82 KDM4E (0.46)
SCHEMBL10050451 0.82 TP53 (0.34) PIK3R1PIK3CAAR
SCHEMBL10050462 0.81 PDK2 (0.37) PIK3R1PIK3CA
SCHEMBL10050450 0.81 PIK3R1 (0.39) PIK3R1PIK3CABACE1

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 PIK3R1 4703/4885PIK3CA 4322/4885MPL 3161/4885

“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.