SCHEMBL21460198

SCHEMBL21460198

O=C(c1cnc(NCc2cncnc2)nc1)N1CCC2(CCOCC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 20/20 1.00
BTD P43251 5/20 1.00

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
SCHEMBL21460097 0.92 VNN1 (1.00) VNN1BTD
SCHEMBL21480277 0.91 VNN1 (1.00) VNN1BTD
SCHEMBL21460184 0.88 VNN1 (1.00) VNN1BTD
SCHEMBL21460074 0.88 VNN1 (1.00) VNN1BTD
SCHEMBL26611801 0.87 VNN1 (0.81) VNN1BTD
SCHEMBL21480231 0.86 VNN1 (1.00) VNN1BTD
SCHEMBL26612302 0.85 VNN1 (0.75) VNN1BTD
SCHEMBL19779278 0.84 VNN1 (1.00) VNN1BTD
SCHEMBL19779441 0.84 VNN1 (1.00) VNN1BTD
SCHEMBL19778553 0.83 VNN1 (1.00) VNN1BTD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US claimed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 US claimed
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 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-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD VNN1 1/4885BTD 105/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD VNN1 1/4885BTD 105/4885

“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.