SCHEMBL3267583

SCHEMBL3267583

CCOC(=O)CCc1ccccc1OCCCOc1c(N)nc(N)nc1CC

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.80
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
PRKCD Q05655 1/20 0.44
PAK1 Q13153 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
P2RY10 O00398 2/20 0.43
GPR34 Q9UPC5 1/20 0.43

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
Hydrochloric Acid SCHEMBL3273923 0.99 DHFR (0.78) DHFRCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL3268862 0.90 DHFR (0.66) DHFR
SCHEMBL3268406 0.89 DHFR (1.00) DHFRCSNK1A1CSNK1DPRKCDPAK1
Hydrochloric Acid SCHEMBL3273826 0.89 DHFR (0.65) DHFR
Hydrochloric Acid SCHEMBL3268093 0.88 DHFR (0.98) DHFRCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL31415622 0.87 DHFR (0.61) DHFR
SCHEMBL31415587 0.87 DHFR (0.61) DHFR
SCHEMBL31155826 0.87 DHFR (0.96) DHFRCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL31155810 0.86 DHFR (0.80) DHFRCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL31155868 0.86 DHFR (0.90) DHFRCSNK1A1CSNK1DPRKCDPAK1

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-2194985-B1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE MMV (CH) 2019-02-20 EP claimed
US-8530491-B2 Antimalarial compounds with flexible side-chains MEDICINES FOR MALARIA VENTURE (MMV) (CH) 2013-09-10 US claimed
EP-3546452-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MMV Medicines for Malaria Venture (CH) 2019-10-02 EP disclosed
EP-2194985-B1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE MMV (CH) 2019-02-20 EP disclosed
US-8530491-B2 Antimalarial compounds with flexible side-chains MEDICINES FOR MALARIA VENTURE (MMV) (CH) 2013-09-10 US disclosed
EP-2194985-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS Medicines for Malaria Venture (CH) 2010-06-16 EP disclosed
US-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE 2009-04-16 US disclosed
WO-2009048957-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE (CH) 2009-04-16 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 (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-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS DHFR, FPGS, DHODH DHFR 1/4885CSNK1A1 4436/4885CSNK1D 4563/4885

“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.