SCHEMBL21396714

SCHEMBL21396714

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ENPP3 O14638 1/20 0.34
CASP3 P42574 1/20 0.34
METAP2 P50579 1/20 0.34
TDP2 O95551 2/20 0.33
CYP19A1 P11511 1/20 0.33
ADORA2A P29274 1/20 0.33
CLK4 Q9HAZ1 2/20 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
SCHEMBL22514091 0.87 PTGER4 (0.37) PTGER4CA1CA2ALDH1A1KDM4E
SCHEMBL18361129 0.86 CASP3 (0.39) PTGER4CA1CA2GABRA1GABRG2
SCHEMBL30490544 0.85 METAP2 (0.43) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL18361128 0.84 CASP3 (0.41) PTGER4CA1CA2GABRA1GABRG2
SCHEMBL22514252 0.84 STS (0.40) PTGER4CA1CA2ALDH1A1KDM4E
SCHEMBL17721805 0.84 PTGER4 (0.41) PTGER4CA1CA2METAP2ADORA2A
SCHEMBL21592311 0.84 CASP3 (0.35) PTGER4CA1CA2GABRA1GABRG2
SCHEMBL21396670 0.84 PTGER4 (0.40) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL22514253 0.84 PTGER4 (0.38) PTGER4CA1CA2ALDH1A1KDM4E
SCHEMBL22514281 0.84 PTGER4 (0.38) PTGER4CA1CA2ALDH1A1KDM4E

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 PTGER4 2404/4885CA1 4752/4885CA2 4496/4885

“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.