SCHEMBL6697447

SCHEMBL6697447

CCOC(=O)CC[C@H](NC(=O)c1ccc(N2CCN(c3c(N)nc(N)nc3CC)CC2)cc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 14/20 0.54
MTR Q99707 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6699847 0.93 DHFR (0.52) DHFRMTRKDM4EALDH1A1HPGD
SCHEMBL6705312 0.92 DHFR (0.49) DHFRMTRKDM4EALDH1A1HPGD
SCHEMBL6699116 0.85 DHFR (0.61) DHFRMTR
SCHEMBL10651972 0.84 DHFR (0.54) DHFRMTR
SCHEMBL6074471 0.79 L3MBTL1 (0.50) DHFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6701864 0.78 DHFR (0.59) DHFRMTR
SCHEMBL10647855 0.78 DHFR (0.56) DHFRMTR
SCHEMBL6704122 0.77 DHFR (0.66) DHFRMTR
SCHEMBL10828840 0.76 L3MBTL1 (0.52) DHFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6701226 0.76 DHFR (0.73) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006042-A1 Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers BERRY DAVID ALLEN (US) 2004-01-08 US claimed
WO-2000009131-A1 DIAMINOPYRIMIDINES AND COMBINATION THERAPIES EFFECTIVE FOR TREATMENT OF P-GLYCOPROTEIN POSITIVE CANCERS WARNER-LAMBERT COMPANY (US) 2000-02-24 WO claimed
EP-0103464-B1 DIAMINOPYRIMIDINES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-11-17 EP claimed
US-4532240-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1985-07-30 US claimed
EP-0103464-A2 Diaminopyrimidines and their production WARNER-LAMBERT COMPANY (US) 1984-03-21 EP claimed
US-20040006042-A1 Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers BERRY DAVID ALLEN (US) 2004-01-08 US disclosed
WO-2000009131-A1 DIAMINOPYRIMIDINES AND COMBINATION THERAPIES EFFECTIVE FOR TREATMENT OF P-GLYCOPROTEIN POSITIVE CANCERS WARNER-LAMBERT COMPANY (US) 2000-02-24 WO disclosed
EP-0103464-B1 DIAMINOPYRIMIDINES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-11-17 EP disclosed
US-4532240-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1985-07-30 US disclosed
EP-0103464-A2 Diaminopyrimidines and their production WARNER-LAMBERT COMPANY (US) 1984-03-21 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-20040006042-A1 Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers ABCB1, ABCC1, DPYD DHFR 81/4885MTR 3252/4885KDM4E 3298/4885

“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.