SCHEMBL5653339

SCHEMBL5653339

O=C(c1ccccc1)c1cccnc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.67
AKR1C3 P42330 1/20 0.52
KMT2A Q03164 2/20 0.52
DHODH Q02127 4/20 0.50
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL23458451 0.87 NAPRT (0.59) NAPRTKMT2ADHODHMAPTMEN1
SCHEMBL5046047 0.87 NAPRT (0.59) NAPRTKMT2ADHODHMAPTMEN1
SCHEMBL27612856 0.86 NAPRT (0.73) NAPRTKMT2ADHODHMAPTGAA
SCHEMBL29574424 0.80 NAPRT (1.00) NAPRTDHODHMAPTALDH1A1KDM4E
SCHEMBL19280924 0.80 NAPRT (1.00) NAPRTDHODHMAPTALDH1A1KDM4E
SCHEMBL229352 0.80 NAPRT (1.00) NAPRTDHODHMAPTALDH1A1KDM4E
SCHEMBL5215099 0.80 NAPRT (0.54) NAPRTKMT2ADHODHMAPTALDH1A1
SCHEMBL5214245 0.80 NAPRT (0.54) NAPRTKMT2ADHODHMAPTALDH1A1
SCHEMBL29710001 0.79 AKR1C3 (0.53) NAPRTAKR1C3KMT2ADHODHMAPT
SCHEMBL13278446 0.79 AKR1C3 (0.53) NAPRTAKR1C3KMT2ADHODHMAPT

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
EP-1799627-B1 IRON OR COBALT-CATALYZED CARBON-CARBON COUPLING REACTION OF ARYLS, ALKENES AND ALKINES WITH COPPER REAGENTS SALTIGO GMBH (DE) 2010-05-05 EP disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US disclosed
US-7176215-B2 Bicyclic oxopyridine and oxopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2007-02-13 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives UCB PHARMA S.A. (BE) 2004-12-16 US disclosed
EP-1438313-A1 BICYCLIC OXOPYRIDINE AND OXOPYRIMIDINE DERIVATIVES Celltech R & D Limited (GB) 2004-07-21 EP disclosed
WO-2003033502-A1 BICYCLIC OXOPYRIDINE AND OXOPYRIMIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-04-24 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN 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-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SLC39A14, MAL2, AHR NAPRT 2091/4885AKR1C3 302/4885KMT2A 467/4885
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 NAPRT 2804/4885AKR1C3 291/4885KMT2A 1218/4885
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives MAPK1, ALK, NAT1 NAPRT 987/4885AKR1C3 331/4885KMT2A 1815/4885

“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.