SCHEMBL6703429

SCHEMBL6703429

Cc1nc(N)nc(N)c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.65
SIRT6 Q8N6T7 2/20 0.54
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.47
ADRB1 P08588 1/20 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
SCHEMBL10651835 0.83 DHFR (0.46) DHFRSIRT6MAPTALDH1A1POLB
SCHEMBL10653205 0.82 DHFR (0.78) DHFRMAPTALDH1A1POLBLMNA
SCHEMBL8912802 0.81 SIRT6 (0.50) DHFRSIRT6MAPTALDH1A1POLB
SCHEMBL6696389 0.81 DHFR (0.67) DHFR
SCHEMBL6704755 0.80 DHFR (0.74) DHFRMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6700884 0.79 DHFR (1.00) DHFRMAPT
SCHEMBL6701531 0.79 DHFR (0.68) DHFRALDH1A1SMN1; SMN2
SCHEMBL6699085 0.79 DHFR (0.72) DHFRALDH1A1
SCHEMBL6701535 0.79 DHFR (0.68) DHFRMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10651989 0.78 DHFR (0.97) DHFRMAPT

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 81/4885SIRT6 3433/4885MAPT 4340/4885

“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.