SCHEMBL3063545

SCHEMBL3063545

Fc1ccccc1-c1nc2ncncc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.58
METAP1 P53582 1/20 0.58
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
SCD O00767 1/20 0.45
PTGES O14684 1/20 0.45
NPY5R Q15761 1/20 0.44
CSNK1D P48730 2/20 0.43
CSNK1E P49674 2/20 0.43
MAPK14 Q16539 2/20 0.43
PARP1 P09874 1/20 0.43
PDE5A O76074 4/20 0.42
MET P08581 1/20 0.41

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
SCHEMBL3058561 0.88 METAP2 (0.52) METAP2METAP1NPC1ALDH1A1PKM
SCHEMBL13137746 0.83 METAP2 (0.56) METAP2METAP1NPC1ALDH1A1PKM
SCHEMBL680854 0.78 METAP2 (0.65) METAP2METAP1NPC1ALDH1A1RAB9A
SCHEMBL27233072 0.77 KDM4E (0.58) METAP2METAP1RAB9ANPY5RPDE5A
SCHEMBL4054706 0.77 HPGD (0.55) NPC1ALDH1A1PKMRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL4456676 0.76 METAP2 (0.63) METAP2METAP1NPC1ALDH1A1RAB9A
SCHEMBL3063543 0.76 NPC1 (0.54) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL4054645 0.75 CYP3A4 (0.58) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL369485 0.75 METAP2 (0.61) METAP2METAP1NPC1ALDH1A1PKM
SCHEMBL541991 0.74 ALDH1A1 (0.69) METAP2METAP1NPC1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
CN-101027303-A Imidazo [4, 5-d ] pyrimidines, their use and processes for their preparation GILEAD SCIENCES INC (US) 2007-08-29 CN disclosed
EP-1781658-A1 IMIDAZOÝ4,5-D¨PYRIMIDINES, THEIR USES AND METHODS OF PREPARATION GILEAD SCIENCES, INC. (US) 2007-05-09 EP disclosed
WO-2006033703-A1 IMIDAZO[4,5-D]PYRIMIDINES, THEIR USES AND METHODS OF PREPARATION GILEAD SCIENCES, INC. (US) 2006-03-30 WO disclosed
US-20060052602-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. 2006-03-09 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 (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-20060052602-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation TYMP, DPYD, TYMS METAP2 1966/4885METAP1 1933/4885NPC1 1649/4885
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation TYMP, DPYD, TYMS METAP2 1891/4885METAP1 1842/4885NPC1 1571/4885

“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.