SCHEMBL21396748

SCHEMBL21396748

N#Cc1cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(C#N)c3)c(-n3c4ccccc4c4ccccc43)nc2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TRPA1 O75762 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IMPDH2 P12268 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.34
NR3C1 P04150 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
CYP1A2 P05177 3/20 0.33
MCL1 Q07820 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 3/20 0.33
SLC22A12 Q96S37 1/20 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
SCHEMBL19062209 0.84 IMPDH2 (0.43) MEN1KMT2AIMPDH2ALDH1A1KDM4E
SCHEMBL21396680 0.83 CYP11B2 (0.40) CYP11B1CYP11B2TRPA1MEN1KMT2A
SCHEMBL19755308 0.83 IMPDH2 (0.38) CYP11B1CYP11B2TRPA1MEN1KMT2A
SCHEMBL22379276 0.81 IMPDH2 (0.36) CYP11B1CYP11B2TRPA1MEN1KMT2A
SCHEMBL23127592 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL19755552 0.80 AR (0.36) CYP11B1CYP11B2IMPDH2HTTSLC22A12
SCHEMBL24268834 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL22377719 0.80 TRPA1 (0.37) CYP11B1CYP11B2TRPA1IMPDH2ALDH1A1
SCHEMBL21396679 0.79 NCOA3 (0.42) CYP11B1CYP11B2TRPA1IMPDH2ALDH1A1
SCHEMBL22378369 0.78 MCL1 (0.36) CYP11B1CYP11B2TRPA1IMPDH2ALDH1A1

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 CYP11B1 1877/4885CYP11B2 1859/4885TRPA1 96/4885

“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.