SCHEMBL3268686

SCHEMBL3268686

CCc1nc(N)nc(N)c1OCCCOc1cc(C)nc2cc(F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 15/20 0.50
NCF1 P14598 1/20 0.35
SLC2A1 P11166 1/20 0.35

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 SCHEMBL3266898 0.99 DHFR (0.51) DHFRNCF1SLC2A1
SCHEMBL3267356 0.86 DHFR (0.58) DHFRNCF1
Hydrochloric Acid SCHEMBL3272103 0.85 DHFR (0.59) DHFRNCF1
SCHEMBL3266923 0.80 DHFR (0.49) DHFR
Hydrochloric Acid SCHEMBL3273660 0.79 DHFR (0.49) DHFRSLC2A1
SCHEMBL3267189 0.76 DHFR (0.57) DHFR
Hydrochloric Acid SCHEMBL4195028 0.75 DHFR (0.56) DHFR
SCHEMBL3268764 0.75 KDM4E (0.39) NCF1
SCHEMBL3271792 0.74 DHFR (0.54) DHFR
Hydrochloric Acid SCHEMBL3267053 0.73 DHFR (0.55) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546452-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MMV Medicines for Malaria Venture (CH) 2019-10-02 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-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
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
US-8530491-B2 Antimalarial compounds with flexible side-chains MEDICINES FOR MALARIA VENTURE (MMV) (CH) 2013-09-10 US 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 1/4885NCF1 2427/4885SLC2A1 1273/4885

“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.