SCHEMBL20108906

SCHEMBL20108906

O=P(c1ccccc1)(c1ccccc1)c1cnc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
CTRC Q99895 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CA12 O43570 1/20 0.36
SIRT2 Q8IXJ6 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CSNK2A1 P68400 1/20 0.36
TOP1 P11387 1/20 0.35
CLK2 P49760 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
DYRK2 Q92630 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
HIPK3 Q9H422 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DKK1 O94907 1/20 0.35

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
SCHEMBL20108846 0.88 CYP1A1 (0.45) NOS1CTRCCYP1A1CYP1B1CA12
SCHEMBL20108896 0.87 NOS1 (0.39) NOS1CTRCCYP1A1CYP1B1CA12
SCHEMBL20108898 0.85 NOS1 (0.39) NOS1CTRCCYP1A1CYP1B1CA12
SCHEMBL20108903 0.81 CYP1A1 (0.37) CYP1A1CYP1B1CYP11B1CYP11B2TOP1
SCHEMBL20108882 0.79 PARP1 (0.40) CYP1A1CYP1B1CYP11B1CYP11B2CYP17A1
SCHEMBL17451965 0.79 TOP1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1TOP1
SCHEMBL20108883 0.79 TOP1 (0.35) SIRT2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL17174127 0.78 PARP1 (0.46) CYP1A1CYP1B1CYP19A1TOP1ALDH1A1
SCHEMBL17174105 0.78 PARP1 (0.46) CYP1A1CYP1B1CYP19A1TOP1ALDH1A1
SCHEMBL26213641 0.78 TOP1 (0.34) NOS1CYP1A1CYP1B1CA12CYP11B1

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-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2021-10-26 US disclosed
US-20180118742-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-05-03 US disclosed
US-20180118742-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-05-03 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 (2 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-20180118742-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD2, OCIAD1, PPOX NOS1 1081/4885CTRC 2817/4885CYP1A1 984/4885
US-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD2, OCIAD1, PPOX NOS1 1081/4885CTRC 2817/4885CYP1A1 984/4885

“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.