SCHEMBL9823308

SCHEMBL9823308

C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 1.00
TYMS P04818 2/20 0.60

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
SCHEMBL31490169 0.93 DHFR (0.87) DHFRTYMS
SCHEMBL7263046 0.93 DHFR (0.87) DHFRTYMS
SCHEMBL9823269 0.91 DHFR (1.00) DHFRTYMS
SCHEMBL18163402 0.89 DHFR (0.80) DHFRTYMS
SCHEMBL9823412 0.89 DHFR (1.00) DHFRTYMS
SCHEMBL14550680 0.87 DHFR (0.79) DHFRTYMS
SCHEMBL9823099 0.87 DHFR (0.78) DHFRTYMS
SCHEMBL9823187 0.87 DHFR (0.81) DHFRTYMS
SCHEMBL9823192 0.87 DHFR (0.81) DHFRTYMS
SCHEMBL9823716 0.87 DHFR (0.81) DHFRTYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2017-08-31 US disclosed
US-8546425-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
EP-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 EP disclosed
US-4857530-A THYMIDYLATE SYNTHASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-08-15 US disclosed
EP-0316657-A1 Substituted quinazolinones as anticancer agents WARNER-LAMBERT COMPANY (US) 1989-05-24 EP disclosed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 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-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR DHFR 3/4885TYMS 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.