SCHEMBL21397068

SCHEMBL21397068

N#Cc1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)nc3)c2C#N)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.34
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVR1B P36896 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
RET P07949 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGER4 P35408 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL21396977 0.87 ALDH1A1 (0.40) ALDH1A1NPSR1TDP1BMPR1BBMPR1A
SCHEMBL21397071 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1TDP1BMPR1BBMPR1A
SCHEMBL21396721 0.84 ALDH1A1 (0.34) ALDH1A1NPSR1TDP1RETEGLN1
SCHEMBL22378538 0.83 SMN1; SMN2 (0.36) ALDH1A1TDP1TRPA1CYP19A1CYP11B1
SCHEMBL21397072 0.83 NPSR1 (0.36) ALDH1A1NPSR1TDP1CYP11B1CYP11B2
SCHEMBL21397073 0.82 CYP11B1 (0.41) ALDH1A1NPSR1TDP1CYP11B1CYP11B2
SCHEMBL21397004 0.82 ALOX5AP (0.35) ALDH1A1NPSR1TDP1TRPA1BMPR1B
SCHEMBL21397122 0.81 PTGER4 (0.36) ALDH1A1NPSR1TDP1CYP11B2PTGER4
SCHEMBL21396672 0.80 CNR2 (0.37) ALDH1A1NPSR1TDP1TRPA1RET
SCHEMBL21396670 0.79 PTGER4 (0.40) ALDH1A1EGLN1PTGER4

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 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.