SCHEMBL5790738

SCHEMBL5790738

CNCc1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.58
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 2/20 0.55
NOS1 P29475 1/20 0.53

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
SCHEMBL14169207 0.87 CA1 (0.61) DHFRCA1CA2CA9NOS1
SCHEMBL5549729 0.84 DHFR (0.58) DHFRCA1CA2CA9NOS1
SCHEMBL25837567 0.83 DHFR (0.54) DHFRCA1CA2CA9NOS1
SCHEMBL8813993 0.81 NOS1 (0.61) DHFRNOS1
SCHEMBL13019221 0.81 DHFR (0.56) DHFRCA1CA2CA9NOS1
SCHEMBL14435374 0.80 NOS1 (0.55) DHFRNOS1
SCHEMBL30432658 0.80 NOS1 (0.55) DHFRNOS1
SCHEMBL26500537 0.79 NOS1 (0.62) DHFRNOS1
SCHEMBL10615664 0.79 NOS1 (0.62) DHFRNOS1
SCHEMBL21319444 0.79 CA1 (0.70) DHFRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 US disclosed
WO-2018037119-A1 PRODRUGS ACTIVATED BY REACTIVE OXYGEN SPECIES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES AND CANCER DANMARKS TEKNISKE UNIVERSITET (DK) 2018-03-01 WO disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 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 (2 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 DHFR 1/4885CA1 2964/4885CA2 4161/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 DHFR 1/4885CA1 2964/4885CA2 4161/4885

“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.