SCHEMBL10074700

SCHEMBL10074700

N#C/N=C1\c2ccccc2-c2nc(-c3ccc(C#N)cc3)cnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.44
MAOB P27338 1/20 0.43
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
IDO1 P14902 1/20 0.39
AR P10275 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
ALDH1A3 P47895 1/20 0.35
TGFBR1 P36897 1/20 0.35
USP8 P40818 3/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GAA P10253 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL10074699 0.95 ATR (0.44) ATRMAOBPARP1PARP2IDO1
SCHEMBL10050410 0.84 ATR (0.42) ATRMAOBPARP1PARP2IDO1
SCHEMBL10075450 0.84 MAOB (0.41) ATRMAOBPARP1TGFBR1ALOX5AP
SCHEMBL10075463 0.82 IDO1 (0.43) MAOBIDO1ARALDH1A3USP8
SCHEMBL10050412 0.79 ATR (0.42) ATRMAOBPARP1PARP2IDO1
SCHEMBL10075454 0.79 MAOB (0.41) ATRMAOBPARP1TGFBR1ALOX5AP
SCHEMBL10074510 0.77 ATR (0.44) ATRMAOBPARP1PARP2IDO1
SCHEMBL10075004 0.76 MAOB (0.40) MAOBIDO1GABRA1GABRG2GABRB3
SCHEMBL6972758 0.75 GABRA1 (0.51) ATRMAOBPARP1PARP2GABRA1
SCHEMBL10074698 0.75 ATR (0.38) ATRMAOBAR

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
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 ATR 2855/4885MAOB 1019/4885PARP1 2672/4885

“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.