SCHEMBL21397142

SCHEMBL21397142

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccnc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CYP11B2 P19099 2/20 0.39
PDE10A Q9Y233 2/20 0.38
PDE2A O00408 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PTGER4 P35408 1/20 0.35
CYP11B1 P15538 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
PDE4A P27815 1/20 0.34
GRM5 P41594 2/20 0.34
MAOA P21397 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
SCHEMBL21397154 0.93 CSNK1A1 (0.36) CSNK1A1CSNK1DGSK3BCSNK1G2CYP11B2
SCHEMBL21397014 0.86 DDB1 (0.37) DDB1CRBNPTGER4GABRA1GABRG2
SCHEMBL18361128 0.84 CASP3 (0.41) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL19755526 0.83 CCNE2 (0.40) CYP11B2PTGER4CYP11B1GABRA1GABRG2
SCHEMBL19755211 0.83 CASP3 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21397011 0.82 PTGER4 (0.36) GSK3BDDB1CRBNPTGER4GABRA1
SCHEMBL21758229 0.82 DDB1 (0.40) GSK3BDDB1CRBNPTGER4GABRA1
SCHEMBL21396688 0.81 DDB1 (0.34) CYP11B2DDB1CRBNPTGER4GABRA1
SCHEMBL19755239 0.81 PTGER4 (0.40) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21396968 0.81 DDB1 (0.36) DDB1CRBNPTGER4GRM5EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CSNK1A1 4874/4885CSNK1D 4882/4885GSK3B 4325/4885

“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.