SCHEMBL21396680

SCHEMBL21396680

N#Cc1cc(-c2cccnc2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
AR P10275 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
METAP2 P50579 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL21396722 0.84 USP30 (0.35) CYP11B2ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL21397137 0.84 LRRK2 (0.35) CYP11B2ALDH1A1HPGDKDM4EMEN1
SCHEMBL21397059 0.84 MEN1 (0.37) CYP11B2ALDH1A1HPGDKDM4EMEN1
SCHEMBL21396748 0.83 CYP11B1 (0.38) CYP11B2ARALDH1A1CYP1A2CYP3A4
SCHEMBL19755308 0.83 IMPDH2 (0.38) CYP11B2ARALDH1A1KDM4EMEN1
SCHEMBL21396732 0.82 USP30 (0.40) CYP1A2CYP3A4HSD17B10CLK4TDP1
SCHEMBL21396677 0.82 METAP2 (0.37) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL21397049 0.82 GABRA1 (0.36) CYP11B2ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL19062209 0.81 IMPDH2 (0.43) ARALDH1A1HSD17B10KDM4EMEN1
SCHEMBL22379276 0.80 IMPDH2 (0.36) CYP11B2ARALDH1A1MEN1KMT2A

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 CYP11B2 1859/4885BMPR1B 1768/4885BMPR1A 1359/4885

“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.