SCHEMBL10275802

SCHEMBL10275802

O=C(C=Cc1ccc2ccccc2n1)c1ccccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 5/20 0.72
▸ CYSLTR1 Q9Y271 5/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ MAPT P10636 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ LMNA P02545 2/20 0.63
▸ HDAC6 Q9UBN7 2/20 0.62
▸ PFKFB3 Q16875 2/20 0.62
▸ CYP2C19 P33261 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HSP90AA1 P07900 1/20 0.60
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58

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
SCHEMBL10309033 1.00 CYSLTR2 (0.72) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL10136232 0.86 CYSLTR2 (0.77) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL10275152 0.84 KDM4E (0.61) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL10309042 0.84 KDM4E (0.61) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL10275355 0.80 PFKFB3 (0.81) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL10309039 0.80 PFKFB3 (0.81) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL10275052 0.79 PFKFB3 (0.74) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL10309012 0.79 PFKFB3 (0.74) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL6175612 0.78 CYSLTR2 (1.00) CYSLTR2CYSLTR1KDM4EMAPTMEN1
SCHEMBL6175619 0.78 CYSLTR2 (1.00) CYSLTR2CYSLTR1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 — — US claimed
US-20230312728-A1 Methods and Compositions for Diabetes Treatment and Beta-Cell Regeneration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 — — US disclosed
CN-116615241-A Methods and compositions for diabetes treatment and beta cell regeneration 加利福尼亚大学董事会 2023-08-18 — — CN disclosed
EP-4200016-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-28 — — EP disclosed
WO-2022040161-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-24 — — WO disclosed
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 — — US disclosed
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-07-12 — — 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 (1 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-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 CYSLTR2 4649/4885CYSLTR1 4767/4885KDM4E 2288/4885

“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.

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