Sugi Predict

Sugi Predict / Compounds / SCHEMBL21148191

SCHEMBL21148191

SCHEMBL21148191

c1cc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4ccccc34)n2)cc(-c2cccc3sc4ccccc4c23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 8/20 0.37
▸ S1PR4 O95977 6/20 0.37
▸ PIM1 P11309 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 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
SCHEMBL26231385 0.95 PIM1 (0.37) S1PR5S1PR4PIM1ALDH1A1MAPT
SCHEMBL21148188 0.94 S1PR5 (0.41) S1PR5S1PR4ALDH1A1MAPTKDM4E
SCHEMBL21148585 0.94 S1PR5 (0.41) S1PR5S1PR4ALDH1A1MAPTKDM4E
SCHEMBL21148574 0.94 PIM1 (0.37) S1PR5S1PR4PIM1ALDH1A1MAPT
SCHEMBL21148587 0.93 S1PR5 (0.40) S1PR5S1PR4PIM1ALDH1A1MAPT
SCHEMBL21148190 0.93 S1PR5 (0.42) S1PR5S1PR4PIM1ALDH1A1MAPT
SCHEMBL21148705 0.93 ALDH1A1 (0.40) S1PR5S1PR4ALDH1A1MAPTKDM4E
SCHEMBL27252578 0.92 S1PR5 (0.40) S1PR5S1PR4PIM1ALDH1A1MAPT
SCHEMBL21148579 0.92 S1PR5 (0.39) S1PR5S1PR4ALDH1A1MAPTKDM4E
SCHEMBL26231384 0.92 S1PR5 (0.39) S1PR5S1PR4PIM1ALDH1A1MAPT

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-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 — — US disclosed
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 — — US disclosed
US-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2019-07-11 — — 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-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 S1PR5 3651/4885S1PR4 3107/4885PIM1 3381/4885
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 S1PR5 3651/4885S1PR4 3107/4885PIM1 3381/4885

“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.