SCHEMBL3498787

SCHEMBL3498787

CCc1nc(N)nc(N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 8/20 1.00
HEXB P07686 8/20 1.00
DHFR P00374 6/20 1.00
MEN1 O00255 1/20 0.71
SLC22A1 O15245 1/20 0.71
ALDH1A1 P00352 1/20 0.71
LMNA P02545 1/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
HTR1A P08908 1/20 0.71
ADRA2A P08913 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
HTR2A P28223 1/20 0.71
ADRA1A P35348 1/20 0.71
HTR2B P41595 1/20 0.71
SLC6A3 Q01959 1/20 0.71
KMT2A Q03164 1/20 0.71
PDE4D Q08499 1/20 0.71

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
SCHEMBL3502224 0.86 DHFR (0.78) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL5835121 0.86 HEXA (0.78) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL8261006 0.84 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL8261612 0.84 HEXA (0.73) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12368269 0.84 HEXA (0.73) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12368256 0.83 HEXA (0.73) HEXAHEXBDHFRMEN1SLC22A1
Pyrimethamine SCHEMBL25129 0.83 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1
Pyrimethamine SCHEMBL29381161 0.83 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1
Pyrimethamine SCHEMBL15516970 0.83 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12368253 0.82 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20220289686-A1 COMPOSITIONS OF NRF2 INHIBITING AGENTS AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2022-09-15 US disclosed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
US-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 US disclosed
US-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 US disclosed
US-9000003-B2 Anti-folate antimalarials with dual-binding modes and their preparation NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2015-04-07 US disclosed
US-9000003-B2 Anti-folate antimalarials with dual-binding modes and their preparation NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2015-04-07 US disclosed
WO-2012121682-A2 ANTI-FOLATE ANTIMALARIALS WITH DUAL-BINDING MODES AND THEIR PREPARATION NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2012-09-13 WO disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 US disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 US disclosed
EP-1917017-B1 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS WITH PYRIMETHAMINE AND ANALOGUES ALSGEN INC (US) 2010-02-03 EP disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 US disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed
EP-0751170-B1 Silicone derivatives, their production and use CHIBA FLOUR MILLING (JP) 2003-01-22 EP disclosed
US-5859243-A AMINOSILICONES HAVING PYRIMIDINYL GROUPS BOUND TO THE AMINO GROUPS; USED TO GEL SILICONE OIL OR TO INCREASE THE VISCOSITY STABLY AND HOMOGENEOUSLY; BASES FOR COSMETICS, DRUGS, INDUSTRIAL MATERIAL; FEEL; TEXTURE CHIBA FLOUR MILLING CO., LTD. (JP) 1999-01-12 US disclosed
US-5712391-A POLYSILOXANES MODIFIED WITH TRIAZINE GROUPS AND DIAMINE COMPOUNDS FOR COSMETICS CHIBA FLOUR MILLING CO., LTD. (JP) 1998-01-27 US disclosed
EP-0751170-A2 Silicone derivatives, their production and use Chiba Flour Milling Co., Ltd. (JP) 1997-01-02 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 (3 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-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885DHFR 960/4885
US-20220289686-A1 COMPOSITIONS OF NRF2 INHIBITING AGENTS AND METHODS OF USE THEREOF KEAP1, GSTK1, NFE2L2 HEXA 3816/4885HEXB 3849/4885DHFR 1701/4885
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885DHFR 960/4885

“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.