SCHEMBL21396934

SCHEMBL21396934

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
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
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B2 P19099 8/20 0.33
CYP11B1 P15538 3/20 0.33
CYP19A1 P11511 2/20 0.33
CYP17A1 P05093 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CASP3 P42574 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL21397162 0.86 METAP2 (0.39) PTGER4METAP2KDM4EATML3MBTL1
SCHEMBL21396649 0.84 CYP11B2 (0.36) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL19755265 0.84 KDM4E (0.37) PTGER4METAP2GABRA1GABRG2GABRB3
SCHEMBL19755246 0.84 KDM4E (0.40) METAP2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21397138 0.84 PTGER4 (0.37) PTGER4METAP2GABRA1GABRG2GABRB3
SCHEMBL19755306 0.83 KDM4E (0.42) METAP2GABRA1GABRG2GABRB3GABRA5
SCHEMBL18361129 0.83 CASP3 (0.39) PTGER4METAP2GABRA1GABRG2GABRB3
SCHEMBL21929601 0.82 PTGER4 (0.40) PTGER4METAP2KDM4EATML3MBTL1
SCHEMBL22378506 0.82 KDM4E (0.41) PTGER4METAP2GABRA1GABRG2GABRB3
SCHEMBL31273413 0.82 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1CYP17A1

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 2404/4885METAP2 4343/4885GABRA1 2479/4885

“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.