SCHEMBL21397024

SCHEMBL21397024

CC1(C)c2ccccc2N(c2ccc(-c3cnccc3N3c4ccccc4C(C)(C)c4ccccc43)cc2C#N)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
SLC22A12 Q96S37 6/20 0.33
PIP4K2A P48426 1/20 0.32
ABL1 P00519 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PRKCQ Q04759 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVR1B P36896 1/20 0.31

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
SCHEMBL21396946 0.88 CYP11B1 (0.35) ARCYP11B1CYP11B2NCOA3SLC22A12
SCHEMBL21922269 0.85 GABRA1 (0.42) ARCYP11B1CYP11B2PIP4K2AABL1
SCHEMBL21927644 0.85 PDE10A (0.38) ARCYP11B2PIP4K2AABL1GABRA1
SCHEMBL21396727 0.84 CYP11B2 (0.33) CYP11B1CYP11B2NCOA3
SCHEMBL21397152 0.84 CYP11B2 (0.37) CYP11B1CYP11B2NCOA3SLC22A12PIP4K2A
SCHEMBL21927967 0.82 PGR (0.36) NCOA3SLC22A12GABRA1GABRG2GABRB3
SCHEMBL21397029 0.82 CYP11B1 (0.36) CYP11B1CYP11B2NCOA3SLC22A12PIP4K2A
SCHEMBL21927649 0.81 PDE10A (0.37) ARPIP4K2AGABRA1GABRG2GABRB3
SCHEMBL21928006 0.81 PGR (0.36) NCOA3SLC22A12GABRA1GABRG2GABRB3
SCHEMBL21693362 0.80 LMNA (0.39) PGR

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 AR 3741/4885CYP11B1 1877/4885CYP11B2 1859/4885

“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.