SCHEMBL21396670

SCHEMBL21396670

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METAP2 P50579 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
EGLN1 Q9GZT9 3/20 0.34
SMO Q99835 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRM4 Q14833 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
USP30 Q70CQ3 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL21396671 0.90 PTGER4 (0.40) PTGER4KDM4EALDH1A1L3MBTL1EGLN1
SCHEMBL18361129 0.86 CASP3 (0.39) PTGER4KDM4EALDH1A1L3MBTL1METAP2
SCHEMBL21396714 0.84 PTGER4 (0.37) PTGER4KDM4EALDH1A1METAP2GABRA1
SCHEMBL24369953 0.82 PTGER4 (0.40) PTGER4KDM4EALDH1A1METAP2GABRA1
SCHEMBL30490544 0.82 METAP2 (0.43) KDM4EALDH1A1L3MBTL1METAP2GABRA1
SCHEMBL18361128 0.81 CASP3 (0.41) PTGER4KDM4EALDH1A1L3MBTL1GABRA1
SCHEMBL21396977 0.81 ALDH1A1 (0.40) PTGER4KDM4EALDH1A1L3MBTL1
SCHEMBL21931732 0.81 PTGER4 (0.44) PTGER4KDM4EALDH1A1L3MBTL1METAP2
SCHEMBL21931729 0.81 PTGER4 (0.41) PTGER4KDM4EALDH1A1L3MBTL1METAP2
SCHEMBL19755552 0.81 AR (0.36) PTGER4METAP2GABRA1GABRG2GABRB3

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
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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 PTGER4 2404/4885KDM4E 955/4885ALDH1A1 825/4885

“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.