SCHEMBL4638485

SCHEMBL4638485

COC(=O)CC(=O)c1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 4/20 0.39
ATM Q13315 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PLOD2 O00469 3/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 3/20 0.36
TBXAS1 P24557 1/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BCAT2 O15382 1/20 0.34
PLOD3 O60568 2/20 0.34
PLOD1 Q02809 2/20 0.34

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
SCHEMBL5158494 0.83 ALDH1A1 (0.51) HCAR2KMT2AMEN1ALDH1A1MGAM
SCHEMBL5160505 0.82 HCAR2 (0.39) HCAR2KMT2AMEN1ALDH1A1PLOD2
SCHEMBL5160500 0.82 HCAR2 (0.39) HCAR2ALDH1A1PLOD2KDM4ELMNA
SCHEMBL82139 0.78 PLOD2 (0.67) HCAR2KMT2AMEN1ALDH1A1GAA
SCHEMBL30489909 0.78 PLOD2 (0.67) HCAR2KMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL6946997 0.77 PLOD2 (0.65) HCAR2KMT2AMEN1ALDH1A1GAA
SCHEMBL1477156 0.77 KDM4E (0.56) HCAR2KDM4ETSHRLMNAMAPT
SCHEMBL5397185 0.77 KMT2A (0.38) KMT2AMEN1ALDH1A1ATMMGAM
SCHEMBL15173675 0.77 HCAR2 (0.53) HCAR2KMT2AMEN1ALDH1A1ATM
SCHEMBL5159804 0.76 HCAR2 (0.45) HCAR2KMT2AMEN1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353852-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE KINETA INC (US) 2025-11-20 US disclosed
EP-4444316-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2024-10-16 EP disclosed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-20250353852-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE PIKFYVE, TARDBP, TDP1 HCAR2 4427/4885KMT2A 3176/4885MEN1 4563/4885
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 HCAR2 141/4885KMT2A 2325/4885MEN1 1680/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 HCAR2 293/4885KMT2A 1258/4885MEN1 849/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO HCAR2 12/4885KMT2A 1666/4885MEN1 4424/4885

“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.