SCHEMBL17348952

SCHEMBL17348952

Brc1ccc2c(c1)c1cccnc1n2-c1cccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
FEN1 P39748 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
PDE4A P27815 5/20 0.36
CDK2 P24941 2/20 0.36
DCLK1 O15075 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
CSF1R P07333 1/20 0.36
FER P16591 1/20 0.36
MARK3 P27448 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
CSNK2A1 P68400 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
SCHEMBL17349675 0.91 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19FEN1DCTPP1
SCHEMBL18958327 0.91 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19FEN1DCTPP1
SCHEMBL17349010 0.90 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19FEN1DCTPP1
SCHEMBL18958331 0.90 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19FEN1DCTPP1
SCHEMBL17349083 0.90 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17339010 0.90 FEN1 (0.46) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL18958328 0.89 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19FEN1DCTPP1
SCHEMBL18958329 0.89 HTR1A (0.38) ALDH1A1TSHRCYP2C19DCTPP1PDE4A
SCHEMBL17349150 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19FEN1DCTPP1
SCHEMBL17349622 0.87 GRM5 (0.37) ALDH1A1TSHRCYP2C19GRM5KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
WO-2015190867-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-12-17 WO 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-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885

“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.