SCHEMBL3058561

SCHEMBL3058561

Fc1cccc(-c2nc3ncncc3[nH]2)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN2B Q13224 5/20 0.40
NPY5R Q15761 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
GUSB P08236 1/20 0.39
SCD O00767 1/20 0.39
DHODH Q02127 1/20 0.38
PDE5A O76074 2/20 0.38
PARP1 P09874 1/20 0.36
PTGES O14684 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL3063545 0.88 METAP2 (0.58) METAP2METAP1NPC1ALDH1A1PKM
SCHEMBL13137746 0.84 METAP2 (0.56) METAP2METAP1NPC1ALDH1A1PKM
SCHEMBL3058557 0.77 NPC1 (0.41) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL11947495 0.77 MGAM (0.48) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL541771 0.75 PDE5A (0.57) METAP2METAP1NPC1ALDH1A1PKM
SCHEMBL183190 0.74 METAP2 (0.49) METAP2METAP1NPY5RGUSBPDE5A
SCHEMBL183317 0.73 METAP2 (0.48) METAP2METAP1NPY5RGUSBPDE5A
SCHEMBL13481452 0.72 ALDH1A1 (0.53) METAP2NPC1ALDH1A1PKMRAB9A
SCHEMBL18486230 0.72 METAP2 (0.50) METAP2METAP1NPC1ALDH1A1RAB9A
SCHEMBL27233072 0.72 KDM4E (0.58) METAP2METAP1RAB9ANPY5RDHODH

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 9 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
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.