SCHEMBL7162992

SCHEMBL7162992

Nc1nc(N)c2nc(CN3CCc4cc(C(=O)NC(CCCC(=O)O)C(=O)O)ccc43)cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 10/20 0.58
▸ KDM4E B2RXH2 1/20 0.54
▸ TLR4 O00206 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ TYMS P04818 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ HMGB1 P09429 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ FOLR2 P14207 1/20 0.54
▸ FOLR1 P15328 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ GART P22102 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ CASP1 P29466 1/20 0.54

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
SCHEMBL7164303 0.95 DHFR (0.64) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL8445185 0.92 DHFR (0.55) DHFR
SCHEMBL8521499 0.92 DHFR (0.54) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL8521494 0.92 DHFR (0.54) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL8446723 0.91 DHFR (0.62) DHFRKDM4ETLR4MEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL27292117 0.91 DHFR (0.54) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL8447876 0.89 DHFR (0.56) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL8446841 0.89 DHFR (0.52) DHFRKDM4ETLR4MEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL7860603 0.88 DHFR (0.51) DHFRKDM4ETLR4MEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL7860600 0.88 DHFR (0.51) DHFRKDM4ETLR4MEN1ALDH1A1

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
US-20030171376-A1 Antiarthritic agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-09-11 — — US disclosed
US-6559149-B1 Lesser side effects without compromise in their efficacy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-06 — — US disclosed
EP-0632038-B1 METHOTREXATE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-08-22 — — EP disclosed
EP-0543997-B1 DERIVATIVES OF METHOTREXATE WITH ANTIRHEUMATIC ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-12-08 — — EP disclosed
EP-0632038-A1 METHOTREXATE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-01-04 — — EP disclosed
US-5354753-A Methotrexate derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1994-10-11 — — US disclosed
EP-0543997-A1 NOVEL METHOTREXATE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-06-02 — — 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-20030171376-A1 Antiarthritic agents BCOR, RCOR1, IL4 DHFR 2079/4885KDM4E 1388/4885TLR4 362/4885

“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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