SCHEMBL21960122

SCHEMBL21960122

N#Cc1ccccc1-c1cc(F)c(N)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.55
FEN1 P39748 2/20 0.55
ESR2 Q92731 1/20 0.49
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
PTPN5 P54829 1/20 0.42
TRPA1 O75762 1/20 0.41
NR3C1 P04150 1/20 0.40
AR P10275 1/20 0.38
CDC7 O00311 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GABRA1 P14867 1/20 0.38
SSTR2 P30874 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL28299311 0.85 ESR2 (0.52) ALOX5APFEN1ESR2CYP11B1CYP11B2
SCHEMBL19917543 0.84 ESR2 (0.50) ALOX5APFEN1ESR2CYP11B1CYP11B2
SCHEMBL19579103 0.84 ESR2 (0.50) ALOX5APFEN1ESR2CYP11B1CYP11B2
SCHEMBL2648336 0.79 ESR2 (0.46) ALOX5APFEN1ESR2CYP11B1CYP11B2
SCHEMBL2653323 0.79 ALOX5AP (0.56) ALOX5APFEN1ESR2CYP11B1CYP11B2
SCHEMBL1373319 0.78 ALOX5AP (0.45) ALOX5APFEN1ESR2CYP11B1CYP11B2
SCHEMBL2775651 0.78 ESR2 (0.53) ALOX5APFEN1ESR2CYP11B1CYP11B2
SCHEMBL1337677 0.77 FEN1 (0.47) ALOX5APFEN1CYP11B1CYP11B2TRPA1
SCHEMBL7709223 0.76 ESR2 (0.50) ALOX5APFEN1ESR2GABRG2GABRB3
SCHEMBL1372803 0.76 ALOX5AP (0.52) ALOX5APFEN1ESR2CYP11B1CYP11B2

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-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template THE SCRIPPS RESEARCH INSTITUTE 2020-04-30 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-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template APEH, ALKBH3, JMJD7 ALOX5AP 1478/4885FEN1 1290/4885ESR2 2694/4885
US-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template APEH, ALKBH3, JMJD7 ALOX5AP 1478/4885FEN1 1290/4885ESR2 2694/4885

“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.