SCHEMBL21396946

SCHEMBL21396946

N#Cc1cc(-c2cnccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)ccc1N1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34
PDE10A Q9Y233 1/20 0.33
AR P10275 1/20 0.33
PIP4K2A P48426 1/20 0.32
TRPA1 O75762 1/20 0.32
ABL1 P00519 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SLC22A12 Q96S37 4/20 0.31
BMPR1B O00238 2/20 0.31
BMPR1A P36894 2/20 0.31
ACVR1B P36896 2/20 0.31
ACVRL1 P37023 2/20 0.31
ACVR1 Q04771 2/20 0.31
PDK2 Q15119 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL21396727 0.89 CYP11B2 (0.33) CYP11B1CYP11B2NCOA3HSD17B10
SCHEMBL21397024 0.88 AR (0.37) CYP11B1CYP11B2NCOA3PDE10AAR
SCHEMBL21397152 0.83 CYP11B2 (0.37) CYP11B1CYP11B2NCOA3PDE10APIP4K2A
SCHEMBL21396737 0.82 PDK2 (0.36) CYP11B1CYP11B2SLC22A12PDK2
SCHEMBL21397038 0.81 CYP11B2 (0.37) CYP11B1CYP11B2NCOA3PDE10ASLC22A12
SCHEMBL21396945 0.80 BMPR1B (0.34) CYP11B1CYP11B2ARABL1CNR2
SCHEMBL22147499 0.80 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL21397029 0.79 CYP11B1 (0.36) CYP11B1CYP11B2NCOA3PDE10APIP4K2A
SCHEMBL19344962 0.77 PDK2 (0.42) ARPDK2
SCHEMBL21922269 0.76 GABRA1 (0.42) CYP11B1CYP11B2ARPIP4K2ATRPA1

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 CYP11B1 1877/4885CYP11B2 1859/4885NCOA3 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.