SCHEMBL10074712

SCHEMBL10074712

N#CC(C#N)=C1c2ccccc2-c2nc3cc(C(F)(F)F)c(C(F)(F)F)cc3nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
AR P10275 5/20 0.35
PGR P06401 1/20 0.35
TRPA1 O75762 1/20 0.34
CTSK P43235 1/20 0.34
PDK2 Q15119 1/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ACP1 P24666 1/20 0.32
BACE1 P56817 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
USP47 Q96K76 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
SCHEMBL1754982 0.87 ALDH1A1 (0.38) RAB9AMEN1PKMHTTKMT2A
SCHEMBL2756401 0.87 ALDH1A1 (0.38) RAB9AMEN1PKMHTTKMT2A
SCHEMBL10074714 0.85 KDM4E (0.51) RAB9AMEN1PKMHTTKMT2A
SCHEMBL24554500 0.84 MBNL1 (0.35) PIK3R1PIK3CARAB9AMEN1PKM
SCHEMBL10074505 0.84 PIK3R1 (0.42) PIK3R1PIK3CAARPGRCTSK
SCHEMBL10050467 0.83 PIK3R1 (0.33) PIK3R1PIK3CAARPGRTRPA1
SCHEMBL10074512 0.83 PIK3R1 (0.42) PIK3R1PIK3CABACE1MAPTSMN1; SMN2
SCHEMBL10074513 0.81 TOP1 (0.43) PIK3R1PIK3CAHTTRXFP1BACE1
SCHEMBL10074515 0.81 KDM4E (0.41) PIK3R1PIK3CAPDK2KDM4EALDH1A1
SCHEMBL10074507 0.81 KDM4E (0.41) PIK3R1PIK3CAPDK2KDM4EALDH1A1

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 4322/4885AR 4115/4885

“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.