SCHEMBL21396729

SCHEMBL21396729

N#Cc1ccc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)c(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.32
HTT P42858 1/20 0.31
ABL1 P00519 1/20 0.30
PDK2 Q15119 2/20 0.30
USP30 Q70CQ3 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL21397153 0.91 ABL1 (0.33) ABCC9ABL1USP30GABRA1GABRG2
SCHEMBL21397158 0.90 PDK2 (0.37) PDK2USP30GABRA1GABRG2GABRB3
SCHEMBL21396700 0.87 GABRA1 (0.33) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21397025 0.84 PGR (0.35) ABCC9PDK2GABRA1GABRG2GABRB3
SCHEMBL21396724 0.84 BMPR1B (0.31)
SCHEMBL21396728 0.81 AR (0.32)
SCHEMBL21397171 0.81 ABCC9 (0.37) ABCC9HTT
SCHEMBL22147510 0.80 ABCG2 (0.36) ABCC9HTTGABRA1GABRG2GABRB3
SCHEMBL21396717 0.79 EGLN1 (0.31) ABCC9PDK2USP30
SCHEMBL21397034 0.78 LMNA (0.36) USP30GABRA1GABRG2GABRB3GABRA5

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 ABCC9 290/4885HTT 1128/4885ABL1 3489/4885

“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.