SCHEMBL6701191

SCHEMBL6701191

CCCc1nc(N)nc(N)c1N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 18/20 0.72
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 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
SCHEMBL6704137 0.90 DHFR (0.73) DHFRCHRNA10CHRNA9
SCHEMBL20804429 0.84 DHFR (1.00) DHFR
SCHEMBL6700402 0.81 DHFR (0.68) DHFR
SCHEMBL6703945 0.80 DHFR (0.74) DHFR
SCHEMBL6697987 0.77 DHFR (0.65) DHFR
SCHEMBL10650967 0.75 DHFR (0.63) DHFR
SCHEMBL10650874 0.75 DHFR (0.52) DHFRCHRNA10CHRNA9
SCHEMBL20804430 0.74 DHFR (1.00) DHFR
SCHEMBL20734782 0.73 DHFR (1.00) DHFR
SCHEMBL11004401 0.72 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 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 81/4885CHRNA10 4817/4885CHRNA9 4743/4885
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR DHFR 1/4885CHRNA10 4852/4885CHRNA9 4815/4885
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR DHFR 1/4885CHRNA10 4852/4885CHRNA9 4815/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885CHRNA10 4852/4885CHRNA9 4815/4885
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS DHFR 1/4885CHRNA10 4831/4885CHRNA9 4817/4885
US-10774073-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR DHFR 1/4885CHRNA10 4852/4885CHRNA9 4815/4885

“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.