SCHEMBL20848945

SCHEMBL20848945

N#Cc1ccc(F)c(-c2cc(-c3ccccc3)ccc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.53
KIF11 P52732 1/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
GABRA1 P14867 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
PTPN5 P54829 1/20 0.42
FLT3 P36888 1/20 0.42
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
PDK2 Q15119 2/20 0.41
CYP19A1 P11511 1/20 0.41
PGR P06401 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL20848429 0.92 ACLY (0.50) ACLYKIF11GABRG2GABRB3GABRA5
SCHEMBL20848438 0.92 ACLY (0.50) ACLYKIF11GABRG2GABRB3GABRA5
SCHEMBL16343938 0.87 PTGDR2 (0.49) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL29788195 0.87 PTGDR2 (0.49) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20794068 0.86 ABCG2 (0.47) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20867232 0.84 ABCG2 (0.48) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL18361192 0.83 PTGDR2 (0.46) KIF11GABRG2GABRB3GABRA5GABRA3
SCHEMBL20848692 0.83 ACLY (0.50) ACLYKIF11GABRG2GABRB3GABRA5
SCHEMBL20867408 0.82 ABCG2 (0.50) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL28568884 0.81 CYP11B1 (0.51) ACLYGABRG2GABRB3GABRA5GABRA3

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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 (2 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 ACLY 1298/4885KIF11 419/4885GABRG2 4414/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 ACLY 1298/4885KIF11 419/4885GABRG2 4414/4885

“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.