SCHEMBL20722880

SCHEMBL20722880

Cc1nn2c(C(C)C)cc(C(N)=O)nc2c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.52
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPK1 P28482 5/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HCRTR1 O43613 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NPSR1 Q6W5P4 5/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ GLA P06280 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL20722928 0.90 KDM4E (0.51) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20723228 0.86 KDM4E (0.48) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20723212 0.86 KDM4E (0.50) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL24923398 0.84 GLA (0.55) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20723149 0.84 MAPT (0.54) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20723197 0.82 GLA (0.47) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20722905 0.81 MAPT (0.43) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20722940 0.81 MAPT (0.43) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20723084 0.80 KDM4E (0.52) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL20723012 0.80 KDM4E (0.45) KDM4EMAPTMAPK1HPGDLMNA

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 8 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
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 KDM4E 4400/4885MAPT 3809/4885ALDH1A1 736/4885
US-20210040098-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA KDM4E 4688/4885MAPT 4138/4885ALDH1A1 1590/4885
US-20230037225-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS APELIN RECEPTOR AGONISTS APLNR, AP3B1, AGTR1 KDM4E 4400/4885MAPT 3809/4885ALDH1A1 736/4885

“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.

Send feedback