SCHEMBL20421605

SCHEMBL20421605

CCCCCc1nc(N)nc(C)c1I

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 17/20 0.55
▸ TLR7 Q9NYK1 8/20 0.47
▸ DHFR P00374 1/20 0.44

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
Water SCHEMBL28123348 0.80 TLR8 (0.49) TLR8TLR7DHFR
SCHEMBL15305985 0.77 DHFR (0.47) TLR8TLR7DHFR
SCHEMBL28909381 0.75 DHFR (0.54) TLR8TLR7DHFR
SCHEMBL28526953 0.75 DHFR (0.54) TLR8TLR7DHFR
SCHEMBL17545030 0.74 DHFR (0.54) TLR8TLR7DHFR
SCHEMBL12352102 0.72 DHFR (0.46) TLR8TLR7DHFR
SCHEMBL9499496 0.72 TLR8 (0.60) TLR8TLR7DHFR
SCHEMBL2852499 0.71 TLR8 (1.00) TLR8TLR7
SCHEMBL13304569 0.71 TLR8 (0.48) TLR8TLR7
SCHEMBL20434278 0.70 TLR8 (0.97) TLR8TLR7

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-10662161-B2 Pyrimidines and uses thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-05-26 — — US disclosed
US-10662161-B2 Pyrimidines and uses thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-05-26 — — US disclosed
US-20180215720-A1 PYRIMIDINES AND USES THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-08-02 — — US disclosed
US-20180215720-A1 PYRIMIDINES AND USES THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-08-02 — — US disclosed
US-20180215720-A1 PYRIMIDINES AND USES THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-08-02 — — 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 (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-10662161-B2 Pyrimidines and uses thereof TYMS, DPYD, TYMP TLR8 1078/4885TLR7 445/4885DHFR 5/4885
US-20180215720-A1 PYRIMIDINES AND USES THEREOF TYMS, DPYD, TYMP TLR8 1078/4885TLR7 445/4885DHFR 5/4885

“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