SCHEMBL6049641

SCHEMBL6049641

CCc1nc(N)nc(N)c1-c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 7/20 0.70
HEXB P07686 7/20 0.70
DHFR P00374 3/20 0.62
MEN1 O00255 1/20 0.59
SLC22A1 O15245 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HTR2A P28223 1/20 0.59
ADRA1A P35348 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KMT2A Q03164 1/20 0.59
PDE4D Q08499 1/20 0.59

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
SCHEMBL6049489 0.88 HEXA (0.62) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL29913197 0.85 HEXA (0.59) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12368255 0.83 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL29913218 0.82 HEXA (0.64) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL6049555 0.79 DHFR (0.64) HEXAHEXBDHFRMEN1ALDH1A1
SCHEMBL3498787 0.77 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL5069251 0.76 HEXA (0.48) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL9765076 0.76 HEXA (0.62) HEXAHEXBDHFRCYP2D6REN
Water SCHEMBL9765099 0.75 HEXA (0.60) HEXAHEXBDHFRCYP2D6NCOA1
Pyrimethamine SCHEMBL15516970 0.74 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235012-A1 ACID ADDITION SALT OF PYRIMETHAMINE GLG PHARMA S A (PL) 2022-07-28 US disclosed
CN-112513018-A Acid addition salts of pyrimethamine GLG制药有限责任公司 2021-03-16 CN disclosed
EP-3788034-A1 ACID ADDITION SALT OF PYRIMETHAMINE GLG Pharma S.A. (PL) 2021-03-10 EP disclosed
WO-2019182463-A1 ACID ADDITION SALT OF PYRIMETHAMINE GLG Pharma S.A. (PL) 2019-09-26 WO disclosed
EP-1681058-A2 Pharmacologically active cns compounds THE WELLCOME FOUNDATION LIMITED (GB) 2006-07-19 EP disclosed
EP-1325916-A1 Piperazinyl-substituted phenyl pyrimidine derivatives useful in the treatment or prevention of disorders of the central nervous system THE WELLCOME FOUNDATION LIMITED (GB) 2003-07-09 EP disclosed
CN-1066720-C Process for preparing compounds having pharmacological activity on the central nervous system WELLCOME FOUND (GB) 2001-06-06 CN disclosed
CN-1066719-C Process for preparing compounds having pharmacological activity on the central nervous system WELLCOME FOUND (GB) 2001-06-06 CN disclosed
US-5712276-A TREATING NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1998-01-27 US disclosed
US-5684005-A PHENYLPYRIMIDINE COMPOUNDS AS INHIBITORS OF EXCITATORY AMINO ACID GLUTAMATE GLAXO WELLCOME INC. (US) 1997-11-04 US disclosed
EP-0727214-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP disclosed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP disclosed
CN-1117046-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1996-02-21 CN disclosed
CN-1115756-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1996-01-31 CN disclosed
CN-1113487-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1995-12-20 CN disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
CN-1052306-A Compounds having pharmacological activity on the central nervous system WELLCOME FOUND (GB) 1991-06-19 CN disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed
US-3728452-A WATER-SOLUBLE COMPOSITION COMPRISING SULFADIMIDINE AND PYRIMETHAMINE ABIC LTD 1973-04-17 US 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-20220235012-A1 ACID ADDITION SALT OF PYRIMETHAMINE TPMT, DPYD, APRT HEXA 1003/4885HEXB 2104/4885DHFR 12/4885

“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.