SCHEMBL10068339

SCHEMBL10068339

Cc1c(CNc2ccc(C(=O)N[C@@H](CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cc2)cnc2nc(N)nc(N)c12

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 10/20 0.58

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
SCHEMBL24343452 0.88 DHFR (0.54) DHFR
Talotrexin SCHEMBL29376907 0.84 DHFR (0.79) DHFR
Talotrexin SCHEMBL1060264 0.84 DHFR (0.79) DHFR
Talotrexin SCHEMBL30947427 0.84 DHFR (0.79) DHFR
Talotrexin SCHEMBL1060263 0.84 DHFR (0.79) DHFR
Talotrexin SCHEMBL31476904 0.84 DHFR (0.79) DHFR
Talotrexin SCHEMBL29420103 0.84 DHFR (0.78) DHFR
SCHEMBL30947423 0.82 DHFR (0.54) DHFR
SCHEMBL4223731 0.81 DHFR (0.58) DHFR
SCHEMBL4223738 0.81 DHFR (0.58) DHFR

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-8466111-B2 Cyclopenta{G}quinazoline derivatives for the treatment of rheumatoid arthritis or acute myeloid leukaemia BTG INTERNATIONAL LIMITED (GB) 2013-06-18 — — US disclosed
EP-2293807-B1 CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF RHEUMATOID ARTHRITIS OR ACUTE MYELOID LEUKAEMIA BTG INT LTD (GB) 2012-05-09 — — EP disclosed
US-20110190211-A1 CYCLOPENTAQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF RHEUMATOID ARTHRITIS OR ACUTE MYELOID LEUKAEMIA BTG INTERNATIONAL LIMITED (GB) 2011-08-04 — — US disclosed
WO-2009115776-A1 CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF RHEUMATOID ARTHRITIS OR ACUTE MYELOID LEUKAEMIA BTG INTERNATIONAL LIMITED (GB) 2009-09-24 — — 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-20110190211-A1 CYCLOPENTAQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF RHEUMATOID ARTHRITIS OR ACUTE MYELOID LEUKAEMIA ARGLU1, MCL1, GLUL DHFR 946/4885

“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.

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