SCHEMBL20723239

SCHEMBL20723239

COC(=O)c1cc(C(C)(C)C)n2nc(C)c(-c3ccccc3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ MAPT P10636 9/20 0.50
▸ KDM4E B2RXH2 8/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ GLA P06280 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL20723009 0.90 MEN1 (0.70) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20723096 0.75 KDM4E (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20722841 0.74 MAPT (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20723149 0.74 MAPT (0.54) MAPTKDM4EALDH1A1GAANPSR1
SCHEMBL20722994 0.73 MAPT (0.53) MAPTKDM4EALDH1A1GAANPSR1
SCHEMBL20722928 0.72 KDM4E (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20723160 0.71 MAPT (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20723249 0.71 KDM4E (0.72) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4402057 0.71 MAPT (0.62) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20723174 0.71 MAPT (0.39) MEN1KMT2AMAPTKDM4EALDH1A1

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
EP-3664806-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2020-06-17 — — EP claimed
WO-2019032720-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-14 — — WO claimed
US-20230037225-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS APELIN RECEPTOR AGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 — — US disclosed
US-11345705-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists Sanford Burnham Prebys Medical Discovery Institute (US) 2022-05-31 — — US disclosed
US-20210040098-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-02-11 — — US disclosed
EP-3664806-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2020-06-17 — — EP disclosed
WO-2019032720-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-14 — — 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 (3 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-11345705-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists APLNR, AP3B1, AGTR1 MEN1 3915/4885KMT2A 4497/4885MAPT 3809/4885
US-20210040098-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA MEN1 3609/4885KMT2A 4386/4885MAPT 4138/4885
US-20230037225-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS APELIN RECEPTOR AGONISTS APLNR, AP3B1, AGTR1 MEN1 3915/4885KMT2A 4497/4885MAPT 3809/4885

“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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