Sugi Predict

Sugi Predict / Compounds / SCHEMBL20108860

SCHEMBL20108860

SCHEMBL20108860

O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.38
▸ PARP1 P09874 1/20 0.35
▸ DHODH Q02127 2/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ HIPK3 Q9H422 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ACACA Q13085 3/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL20108842 0.90 TOP1 (0.36) TOP1CLK2HIPK1DYRK2HIPK2
SCHEMBL20108882 0.89 PARP1 (0.40) TOP1PARP1CYP1A1CYP1B1PIM1
SCHEMBL20108910 0.88 CYP2C9 (0.39) TOP1DHODHCYP2C9TP53HSD17B10
SCHEMBL20250381 0.86 ESR1 (0.41) PARP1DHODHCLK2HIPK1DYRK2
SCHEMBL20108858 0.86 TOP1 (0.38) TOP1PARP1DHODHCYP1A1CYP1B1
SCHEMBL20108856 0.84 TOP1 (0.33) TOP1CLK2HIPK1DYRK2HIPK2
SCHEMBL20250380 0.83 CYP1A1 (0.46) PARP1CLK2HIPK1DYRK2HIPK2
SCHEMBL17403775 0.83 PARP1 (0.46) TOP1PARP1PIM1PIM2
SCHEMBL20108903 0.83 CYP1A1 (0.37) TOP1PARP1DHODHCYP1A1CYP1B1
SCHEMBL17451937 0.83 TOP1 (0.38) TOP1PARP1DHODHCYP1A1CYP1B1

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 TOP1 2172/4885PARP1 2652/4885DHODH 81/4885
US-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD2, OCIAD1, PPOX TOP1 2172/4885PARP1 2652/4885DHODH 81/4885

“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.