SCHEMBL7253914

SCHEMBL7253914

COC(=O)CCCC(NC(=O)c1cc(C)c2c(c1)CCN2Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.47

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
SCHEMBL8444708 0.88 DHFR (0.49) DHFR
SCHEMBL7165726 0.88 DHFR (0.52) DHFR
SCHEMBL8444709 0.81 DHFR (0.47) DHFR
SCHEMBL8420248 0.80 DHFR (0.47) DHFR
SCHEMBL5322113 0.78 DHFR (0.59) DHFR
SCHEMBL5323442 0.78 DHFR (0.58) DHFR
SCHEMBL8448168 0.78 DHFR (0.60) DHFR
SCHEMBL27501803 0.78 DHFR (0.60) DHFR
SCHEMBL8448171 0.78 DHFR (0.60) DHFR
SCHEMBL8446677 0.78 HDAC4 (0.49) 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
JP-6016669-A — — None — — JP disclosed
US-20030171376-A1 Antiarthritic agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-09-11 — — US disclosed
EP-0632038-A1 METHOTREXATE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-01-04 — — EP disclosed
JP-H0616669-A NEW METHOTREXATE DERIVATIVE CHUGAI PHARMACEUT CO LTD 1994-01-25 — — JP 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-20030171376-A1 Antiarthritic agents BCOR, RCOR1, IL4 DHFR 2079/4885

“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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