SCHEMBL10074505

SCHEMBL10074505

N#CC(C#N)=C1c2ccccc2-c2nc3cc(-c4ccc(F)c(C(F)(F)F)c4)ccc3nc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 3/20 0.42
PIK3CA P42336 3/20 0.42
MPL P40238 3/20 0.40
AR P10275 7/20 0.36
PGR P06401 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CXCR3 P49682 2/20 0.34
KMO O15229 2/20 0.34
BACE1 P56817 1/20 0.33
PDK2 Q15119 1/20 0.32

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
SCHEMBL10050449 0.87 PIK3R1 (0.39) PIK3R1PIK3CAMPLARPGR
SCHEMBL10074515 0.85 KDM4E (0.41) PIK3R1PIK3CAPDK2
SCHEMBL10074507 0.85 KDM4E (0.41) PIK3R1PIK3CAPDK2
SCHEMBL2756378 0.84 MPL (0.44) MPLARPGRCTSSCTSK
SCHEMBL30019760 0.84 MPL (0.44) MPLARPGRCTSSCTSK
SCHEMBL10074712 0.84 PIK3R1 (0.36) PIK3R1PIK3CAMPLARPGR
SCHEMBL10075006 0.80 PIK3R1 (0.42) PIK3R1PIK3CAMPLARPGR
SCHEMBL10074714 0.80 KDM4E (0.51)
SCHEMBL10074523 0.80 TP53 (0.37) PIK3R1PIK3CAARPDK2
SCHEMBL24554500 0.80 MBNL1 (0.35) PIK3R1PIK3CA

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.