SCHEMBL3500167

SCHEMBL3500167

Cc1nc(N)nc(N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.61
HEXA P06865 1/20 0.61
HEXB P07686 1/20 0.61
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
HCRTR1 O43613 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
NUDT1 P36639 1/20 0.50
ADRA2A P08913 1/20 0.47
ADORA2A P29274 1/20 0.47
BRD4 O60885 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
SCHEMBL9289229 0.90 ALDH1A1 (0.55) DHFRHEXAHEXBALDH1A1HPGD
SCHEMBL7162150 0.85 DHFR (0.66) DHFRHEXAHEXBALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4530122 0.84 DHFR (0.47) DHFRHEXAHEXBALDH1A1HPGD
SCHEMBL12368257 0.84 HEXA (0.64) DHFRHEXAHEXBALDH1A1LMNA
SCHEMBL1885367 0.84 HEXA (0.50) DHFRHEXAHEXBALDH1A1LMNA
Hydrochloric Acid SCHEMBL1889973 0.82 HEXA (0.49) DHFRHEXAHEXBALDH1A1LMNA
SCHEMBL12368259 0.82 HEXA (0.68) DHFRHEXAHEXBALDH1A1NPC1
SCHEMBL1882625 0.82 MAP4K4 (0.57) DHFRHEXAHEXBRAB9ASMN1; SMN2
SCHEMBL4526810 0.81 HEXA (0.47) DHFRHEXAHEXBALDH1A1LMNA
SCHEMBL12368258 0.81 HEXA (0.47) DHFRHEXAHEXBALDH1A1HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 DHFR 960/4885HEXA 48/4885HEXB 59/4885
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 DHFR 960/4885HEXA 48/4885HEXB 59/4885

“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.