SCHEMBL3321995

SCHEMBL3321995

O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.74
ALDH1A1 P00352 3/20 0.68
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 1/20 0.61
HSD11B1 P28845 3/20 0.59
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 2/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3322002 0.81 KMT2A (0.55) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13333014 0.81 HSD11B1 (0.76) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4230030 0.75 ALDH1A1 (0.70) P2RX7ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3607807 0.75 HSD11B1 (1.00) P2RX7ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3327631 0.75 HSD11B1 (0.67) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL21065524 0.75 SMN1; SMN2 (0.79) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29460273 0.75 SMN1; SMN2 (0.79) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3363337 0.74 ALDH1A1 (0.83) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5247667 0.74 SMN1; SMN2 (0.71) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1186765 0.74 SMN1; SMN2 (0.71) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12448372-B2 Class of triaromatic compounds targeting bifunctional phosphorylation site of STAT3 and applications thereof Shanghai Yuyao Biotech Ltd. (CN) 2025-10-21 US disclosed
CN-112300145-B Tri-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof 上海宇耀生物科技有限公司 2023-07-21 CN disclosed
US-20220274972-A1 CLASS OF TRIAROMATIC COMPOUNDS TARGETING BIFUNCTIONAL PHOSPHORYLATION SITE OF STAT3 AND APPLICATIONS THEREOF Shanghai Yuyao Biotech Ltd. (CN) 2022-09-01 US disclosed
EP-4006026-A1 CLASS OF TRIAROMATIC COMPOUNDS TARGETING BIFUNCTIONAL PHOSPHORYLATION SITE OF STAT3 AND APPLICATIONS THEREOF Shanghai Yuyao Biotech Ltd. (CN) 2022-06-01 EP disclosed
WO-2021017880-A1 CLASS OF TRIAROMATIC COMPOUNDS TARGETING BIFUNCTIONAL PHOSPHORYLATION SITE OF STAT3 AND APPLICATIONS THEREOF 上海宇耀生物科技有限公司 2021-02-04 WO disclosed
CN-112300145-A Three-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof 上海宇耀生物科技有限公司 2021-02-02 CN disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 WO 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 (4 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-12448372-B2 Class of triaromatic compounds targeting bifunctional phosphorylation site of STAT3 and applications thereof STAT3, JAK2, STAT1 P2RX7 3422/4885ALDH1A1 1654/4885KMT2A 2388/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 P2RX7 3719/4885ALDH1A1 437/4885KMT2A 3083/4885
US-20220274972-A1 CLASS OF TRIAROMATIC COMPOUNDS TARGETING BIFUNCTIONAL PHOSPHORYLATION SITE OF STAT3 AND APPLICATIONS THEREOF STAT3, JAK2, STAT1 P2RX7 3422/4885ALDH1A1 1654/4885KMT2A 2388/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 P2RX7 991/4885ALDH1A1 3143/4885KMT2A 2533/4885

“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.