SCHEMBL21396977

SCHEMBL21396977

N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)nc2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER4 P35408 1/20 0.37
BMPR1B O00238 2/20 0.36
BMPR1A P36894 2/20 0.36
ACVR1B P36896 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
CNR2 P34972 1/20 0.36
CYP11B2 P19099 2/20 0.35
PLAUR Q03405 1/20 0.35
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
IMPDH2 P12268 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FLT3 P36888 1/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL21397071 0.96 ALDH1A1 (0.41) ALDH1A1NPSR1TDP1PTGER4BMPR1B
SCHEMBL21397073 0.94 CYP11B1 (0.41) ALDH1A1NPSR1TDP1PTGER4CYP11B2
SCHEMBL21397072 0.88 NPSR1 (0.36) ALDH1A1NPSR1TDP1PTGER4CNR2
SCHEMBL21397068 0.87 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1PTGER4BMPR1B
SCHEMBL19062209 0.86 IMPDH2 (0.43) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL21396669 0.82 CNR2 (0.39) ALDH1A1NPSR1TDP1PTGER4CNR2
SCHEMBL612189 0.81 KDM4E (0.43) ALDH1A1PTGER4CNR2KDM4EL3MBTL1
SCHEMBL21396670 0.81 PTGER4 (0.40) ALDH1A1PTGER4KDM4EL3MBTL1
SCHEMBL21396692 0.80 PTGER4 (0.37) ALDH1A1PTGER4PLAURKDM4EL3MBTL1
SCHEMBL21396698 0.79 PTGER4 (0.34) ALDH1A1NPSR1TDP1PTGER4PLAUR

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 ALDH1A1 825/4885NPSR1 2986/4885TDP1 1706/4885

“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.