SCHEMBL20515253

SCHEMBL20515253

COc1cccc(OC)c1N(NC(=O)c1ccoc1)C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.41
▸ ITGAV P06756 2/20 0.40
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ GAA P10253 5/20 0.35
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL20515258 0.84 RAB9A (0.47) KCNK3KCNK9ALDH1A1GAAMAPT
SCHEMBL20515254 0.79 MAPT (0.54) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL20515251 0.76 HPGD (0.50) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL20515268 0.75 GAA (0.53) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL20515292 0.75 HPGD (0.52) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL20515252 0.74 POLB (0.43) ALDH1A1GAAMAPTL3MBTL1KMT2A
SCHEMBL20514022 0.73 GAA (0.51) PTK2ITGAVKCNK3KCNK9ALDH1A1
SCHEMBL20515262 0.73 KMT2A (0.50) ALDH1A1GAAALOX12KDM4EADRA1A
SCHEMBL20515283 0.72 MAPT (0.43) ALDH1A1MAPTHPGD
SCHEMBL8544772 0.67 PTK2 (0.47) PTK2ITGAVKCNK3KCNK9ALDH1A1

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-12071413-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 — — US disclosed
EP-3380970-B1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-01-04 — — EP disclosed
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 — — US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 — — US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 — — US disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 — — US disclosed
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 — — 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 (6 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-12071413-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 PTK2 3829/4885ITGAV 4276/4885KCNK3 2483/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 PTK2 3829/4885ITGAV 4276/4885KCNK3 2483/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 PTK2 3640/4885ITGAV 4223/4885KCNK3 2336/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 PTK2 3682/4885ITGAV 4209/4885KCNK3 2405/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 PTK2 3694/4885ITGAV 4206/4885KCNK3 2372/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 PTK2 3836/4885ITGAV 4283/4885KCNK3 2463/4885

“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