SCHEMBL21397038

SCHEMBL21397038

N#Cc1cc(-c2cnccc2N2c3ccccc3Sc3ccccc32)ccc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.37
CYP11B1 P15538 2/20 0.37
NCOA3 Q9Y6Q9 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HTT P42858 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ACHE P22303 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 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
SCHEMBL21927904 0.85 GABRG2 (0.39) CYP11B2CYP11B1FNTAFNTBHTT
SCHEMBL21928514 0.84 PDE10A (0.39) CYP11B2CYP1A2CYP3A4CYP2D6FNTA
SCHEMBL21397152 0.83 CYP11B2 (0.37) CYP11B2CYP11B1NCOA3CYP1A2CYP3A4
SCHEMBL21397024 0.81 AR (0.37) CYP11B2CYP11B1NCOA3PDE10ASLC22A12
SCHEMBL21397029 0.81 CYP11B1 (0.36) CYP11B2CYP11B1NCOA3CDK5DYRK1A
SCHEMBL21921751 0.81 FNTA (0.40) CYP11B2NCOA3CYP1A2CYP3A4CYP2D6
SCHEMBL21397048 0.81 CYP11B2 (0.37) CYP11B2CYP11B1CYP1A2CYP3A4CYP2D6
SCHEMBL21928515 0.81 PDE10A (0.38) CYP1A2CYP3A4CYP2D6FNTAFNTB
SCHEMBL21928129 0.80 FNTA (0.40) CYP11B2NCOA3CYP1A2CYP3A4CYP2D6
SCHEMBL21693361 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6SMN1; SMN2ACHE

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 CYP11B2 1859/4885CYP11B1 1877/4885NCOA3 1772/4885

“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.