SCHEMBL5726544

SCHEMBL5726544

Nc1nc(S)ncc1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49

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
SCHEMBL5726359 0.83 DHFR (0.46) DHFR
SCHEMBL380792 0.82 DHFR (0.67) DHFR
Hydrochloric Acid SCHEMBL8377343 0.81 DHFR (0.65) DHFR
Water SCHEMBL28837029 0.81 DHFR (0.65) DHFR
SCHEMBL5727148 0.79 DHFR (0.55) DHFR
SCHEMBL5727329 0.79 DHFR (0.49) DHFR
SCHEMBL31662914 0.79 DHFR (0.49) DHFR
SCHEMBL5727145 0.79 DHFR (0.49) DHFR
SCHEMBL30462085 0.78 TKT (0.54) DHFR
SCHEMBL5727657 0.78 PNP (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395568-B1 4-AMINOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-02 EP claimed
US-7138404-B2 4-aminopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
EP-1395568-B1 4-AMINOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-02 EP disclosed
EP-1395568-A1 4-AMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 EP disclosed
US-20030022907-A1 4-aminopyrimidine derivatives HOFFMANN-LA ROCHE INC. 2003-01-30 US disclosed
WO-2002094795-A1 4-AMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 WO disclosed
EP-0046856-A2 Process for preparing 4-amino-2-mercapto-pyrimidines HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1982-03-10 EP 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-20030022907-A1 4-aminopyrimidine derivatives GRM5, GRIK5, GRM1 DHFR 95/4885

“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.