Sugi Predict

Sugi Predict / Compounds / SCHEMBL20108904

SCHEMBL20108904

SCHEMBL20108904

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6ccccn6)nc5c4n3)cc2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.41
▸ CYP2C9 P11712 2/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP3A4 P08684 4/20 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
SCHEMBL20108866 0.91 TOP1 (0.42) TOP1CYP2C9DHODHLMNATDP1
SCHEMBL20108899 0.91 CYP2C9 (0.40) TOP1CYP2C9MAPK1LMNATDP1
SCHEMBL20108912 0.90 CYP2C9 (0.39) TOP1CYP2C9MAPK1LMNATDP1
SCHEMBL20108876 0.90 TOP1 (0.46) TOP1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL20108907 0.87 CYP2C9 (0.40) TOP1CYP2C9MAPK1LMNATDP1
SCHEMBL20108871 0.83 TOP1 (0.41) TOP1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL20108849 0.83 TOP1 (0.37) TOP1LMNATDP1KDM4ETP53
SCHEMBL20108875 0.82 TOP1 (0.41) TOP1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL20108840 0.81 LMNA (0.41) TOP1CYP2C9LMNATDP1KDM4E
SCHEMBL20108910 0.81 CYP2C9 (0.39) TOP1CYP2C9DHODHMAPK1LMNA

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 2172/4885CYP2C9 400/4885DHODH 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 2172/4885CYP2C9 400/4885DHODH 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.