SCHEMBL17196294

SCHEMBL17196294

N#CC(C#N)=C1c2cc(F)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C3=C(C#N)C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.40
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPAS1 Q99814 1/20 0.36
PKM P14618 2/20 0.35
GAA P10253 2/20 0.35
SCN5A Q14524 2/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34

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
SCHEMBL12198209 1.00 GPR3 (0.40) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL12198595 0.94 MAPT (0.40) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL15095660 0.94 MAPT (0.40) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL12149384 0.91 MAPT (0.38) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL22966179 0.90 GPR3 (0.47) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL20329562 0.88 TRPV1 (0.38) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL20015783 0.86 GPR3 (0.37) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL15095642 0.84 KIF11 (0.40) MAPTALDH1A1PKMGAAKIF11
SCHEMBL20930806 0.83 ALDH1A1 (0.40) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL12149396 0.83 AKR1C2 (0.38) GPR3MAPTALDH1A1MEN1KMT2A

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-10573823-B2 Organic electroluminescent device JOLED INC (JP) 2020-02-25 US disclosed
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 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-10573823-B2 Organic electroluminescent device L1CAM, NES, EML4 GPR3 4302/4885MAPT 1337/4885ALDH1A1 177/4885

“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.