SCHEMBL6697987

SCHEMBL6697987

CCCc1nc(N)nc(N)c1N1CCN(c2ccc(C(=O)OCC)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 16/20 0.65
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
HSP90AA1 P07900 1/20 0.45
METAP1 P53582 1/20 0.43

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
SCHEMBL6700718 0.88 DHFR (0.61) DHFRADORA3ADORA2AADORA2BADORA1
SCHEMBL6703945 0.87 DHFR (0.74) DHFR
SCHEMBL6699847 0.81 DHFR (0.52) DHFR
SCHEMBL20804429 0.79 DHFR (1.00) DHFR
SCHEMBL6701226 0.78 DHFR (0.73) DHFR
SCHEMBL22015905 0.77 HPGD (0.65) HSP90AA1METAP1
SCHEMBL20188098 0.77 HPGD (0.65) HSP90AA1METAP1
SCHEMBL6701191 0.77 DHFR (0.72) DHFR
SCHEMBL6701864 0.75 DHFR (0.59) DHFR
SCHEMBL10647855 0.75 DHFR (0.56) 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 81/4885ADORA3 2771/4885ADORA2A 1596/4885

“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.