SCHEMBL21397048

SCHEMBL21397048

N#Cc1ccc(N2c3ccccc3Sc3ccccc32)c(-c2cnccc2N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.37
CYP11B1 P15538 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHUK O15111 1/20 0.36
ACHE P22303 3/20 0.36
LMNA P02545 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL21693361 0.84 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6ACHESMN1; SMN2
SCHEMBL21396792 0.82 CYP11B2 (0.37) CYP11B2CYP11B1CHUKCYP17A1SLC22A12
SCHEMBL21397045 0.81 KMT2A (0.41) ACHELMNAPGRCHRM2HTR1A
SCHEMBL21397002 0.81 CYP11B2 (0.38) CYP11B2CYP11B1CHUKLMNAPGR
SCHEMBL21396643 0.81 CYP11B1 (0.38) CYP11B2CYP11B1CHUKCYP17A1SLC22A12
SCHEMBL21397038 0.81 CYP11B2 (0.37) CYP11B2CYP11B1CYP1A2CYP3A4CYP2D6
SCHEMBL21396737 0.80 PDK2 (0.36) CYP11B2CYP11B1CHUKPGRCYP17A1
SCHEMBL21396687 0.79 CYP11B1 (0.34) CYP11B2CYP11B1CHUKMAPK1CYP17A1
SCHEMBL21921751 0.78 FNTA (0.40) CYP11B2CYP1A2CYP3A4CYP2D6ACHE
SCHEMBL20061230 0.78 LMNA (0.45) ACHELMNAPGRCHRM2HTR1A

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 1877/4885CYP1A2 1557/4885

“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.