SCHEMBL6700402

SCHEMBL6700402

Cc1nc(N)nc(N)c1N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 12/20 0.68
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CHEK1 O14757 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL10653205 0.84 DHFR (0.78) DHFRKDM4ETP53ADRA2C
SCHEMBL6704137 0.83 DHFR (0.73) DHFRKDM4ETP53
SCHEMBL6704755 0.82 DHFR (0.74) DHFR
SCHEMBL6700884 0.81 DHFR (1.00) DHFR
SCHEMBL6701191 0.81 DHFR (0.72) DHFR
Hydrochloric Acid SCHEMBL10651989 0.80 DHFR (0.97) DHFR
SCHEMBL6699085 0.78 DHFR (0.72) DHFRKDM4ECHEK1
SCHEMBL6701531 0.78 DHFR (0.68) DHFRKDM4E
SCHEMBL10650892 0.78 DHFR (0.68) DHFRHRH4
SCHEMBL6701535 0.78 DHFR (0.68) 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 16 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-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US disclosed
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC 2020-12-31 US disclosed
US-10774073-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2020-09-15 US disclosed
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2020-08-27 US disclosed
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2019-03-14 US disclosed
WO-2019032458-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-14 WO disclosed
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 (6 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 81/4885KDM4E 3298/4885TP53 12/4885
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR DHFR 1/4885KDM4E 1266/4885TP53 3555/4885
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR DHFR 1/4885KDM4E 1266/4885TP53 3555/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885KDM4E 1266/4885TP53 3555/4885
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS DHFR 1/4885KDM4E 725/4885TP53 1757/4885
US-10774073-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885KDM4E 1266/4885TP53 3555/4885

“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.