SCHEMBL20848429

SCHEMBL20848429

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.50
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 4/20 0.43
GABRA3 P34903 4/20 0.43
KIF11 P52732 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
PDK2 Q15119 2/20 0.42
EGLN2 Q96KS0 2/20 0.41
GABRA1 P14867 1/20 0.40
FLT3 P36888 1/20 0.40
PTPN5 P54829 1/20 0.40
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CHEK1 O14757 1/20 0.39
PGR P06401 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL20848438 0.94 ACLY (0.50) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20848945 0.92 ACLY (0.53) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20848692 0.92 ACLY (0.50) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20793912 0.87 ABCG2 (0.44) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20867334 0.85 ABCG2 (0.45) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20867332 0.84 ABCG2 (0.47) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL2815929 0.83 EGLN2 (0.46) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL20792031 0.83 EGLN2 (0.49) GABRG2GABRB3GABRA5GABRA3KIF11
SCHEMBL19308493 0.82 KIF11 (0.54) ACLYGABRG2GABRB3GABRA5GABRA3
SCHEMBL18499494 0.82 KIF11 (0.54) 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 1298/4885GABRG2 4414/4885GABRB3 4116/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 ACLY 1298/4885GABRG2 4414/4885GABRB3 4116/4885

“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.