SCHEMBL21396978

SCHEMBL21396978

N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cncc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2C#N)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC22A12 Q96S37 7/20 0.35
AR P10275 2/20 0.34
IMPDH2 P12268 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
NR3C1 P04150 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
SCHEMBL19062211 0.87 KDM4E (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397040 0.86 ALDH1A1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL21396948 0.84 NCOA3 (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL21131405 0.83 KDM4E (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21132053 0.83 KDM4E (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21131412 0.83 KDM4E (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21131408 0.83 KDM4E (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL19755253 0.83 KDM4E (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22377490 0.82 KDM4E (0.37) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21758554 0.81 NCOA3 (0.38) CYP11B1CYP11B2ALDH1A1LMNAHPGD

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 1859/4885ALDH1A1 825/4885

“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.