SCHEMBL21396645

SCHEMBL21396645

Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccncc1-c1cc(C#N)ccc1N1c2ccc(C)cc2C(c2ccccc2)(c2ccccc2)c2cc(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
SLC22A12 Q96S37 5/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ABCC9 O60706 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
CASP3 P42574 1/20 0.30
PKM P14618 1/20 0.30
CNR1 P21554 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP19A1 P11511 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
SCHEMBL21396687 0.89 CYP11B1 (0.34) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21397002 0.82 CYP11B2 (0.38) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21396737 0.79 PDK2 (0.36) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21396795 0.79 CYP11B1 (0.37) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21397171 0.76 ABCC9 (0.37) CYP11B1CYP11B2ABCC9
SCHEMBL21396643 0.76 CYP11B1 (0.38) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21397048 0.75 CYP11B2 (0.37) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21396792 0.75 CYP11B2 (0.37) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL19579246 0.74 GABRG2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19579234 0.73 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3

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 1859/4885SLC22A12 224/4885

“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.