SCHEMBL21396739

SCHEMBL21396739

N#Cc1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c(-c2cccnc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
EGLN1 Q9GZT9 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
BRD4 O60885 2/20 0.32
SLC40A1 Q9NP59 1/20 0.32
PGR P06401 2/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
USP30 Q70CQ3 1/20 0.31
FABP1 P07148 1/20 0.30

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
SCHEMBL21396717 0.91 EGLN1 (0.31) PDK2EGLN1NPSR1BRD4USP30
SCHEMBL21397202 0.89 PGR (0.38) PDK2EGLN1NPSR1BRD4SLC40A1
SCHEMBL21396793 0.84 USP30 (0.33) BRD4SLC40A1DDB1CRBNGABRA1
SCHEMBL21396737 0.83 PDK2 (0.36) PDK2NPSR1PGRNR1H3GABRA1
SCHEMBL21397045 0.81 KMT2A (0.41) BRD4SLC40A1PGRALDH1A1GABRA1
SCHEMBL21396640 0.80 BRD4 (0.36) EGLN1NPSR1BRD4SLC40A1ALDH1A1
SCHEMBL22064924 0.79 PDK2 (0.36) PDK2NPSR1PGRALDH1A1HTT
SCHEMBL19344962 0.78 PDK2 (0.42) PDK2PGRNR1H3GABRA1GABRG2
SCHEMBL21397158 0.78 PDK2 (0.37) PDK2EGLN1PGRNR1H3ALDH1A1
SCHEMBL22147511 0.77 ABCG2 (0.38) PDK2ALDH1A1HSD17B10GABRA1GABRG2

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 PDK2 143/4885EGLN1 727/4885NPSR1 2986/4885

“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.